78
 Energy =   -2041.3647784714
 C    8.3160000   -1.5140000   -0.2960000  0.00   -0.0635369   -0.9126008   -0.1119088
 C    9.4040000   -2.4880000    0.1610000  0.00   -0.1113287    0.5617155    0.2762400
 C   10.4750000   -1.8360000    1.0540000  0.00   -0.1183498    0.1700656   -0.2980893
 C   10.9210000   -0.5060000    0.4150000  0.00   -0.3818769   -0.1523075    0.1397199
 C    9.7530000    0.5230000    0.2990000  0.00    0.1793466    0.0801096   -0.0016439
 C   10.2260000    1.6240000   -0.7030000  0.00   -0.0949306   -0.1475339    0.1431152
 H    9.5650000    2.5040000   -0.7210000  0.00   -0.0075828   -0.0372405    0.0015908
 H   10.2970000    1.2240000   -1.7280000  0.00   -0.0089549    0.0124694    0.0251194
 H   11.2280000    1.9880000   -0.4140000  0.00   -0.0501405   -0.0611889    0.0110990
 C    9.5090000    1.1990000    1.6880000  0.00   -0.0443554   -0.0941423   -0.2349400
 H    8.6890000    1.9350000    1.6340000  0.00    0.0297001   -0.0359272   -0.0141755
 H   10.4150000    1.7310000    2.0290000  0.00   -0.0268931   -0.0507049   -0.0568905
 H    9.2380000    0.4590000    2.4550000  0.00    0.0044092   -0.0090092    0.0015668
 H   11.3140000   -0.7180000   -0.5920000  0.00    0.0195198   -0.0038996   -0.0376253
 H   11.7450000   -0.0540000    0.9890000  0.00   -0.0182844    0.0267708   -0.0075801
 H   10.0710000   -1.6590000    2.0660000  0.00    0.0052138   -0.0052245   -0.0296560
 H   11.3310000   -2.5160000    1.1660000  0.00    0.0217272   -0.0145070    0.0128562
 H    8.9170000   -3.3280000    0.6880000  0.00   -0.0106215   -0.0118919   -0.0415851
 H    9.8690000   -2.9300000   -0.7320000  0.00    0.0238653   -0.0518274   -0.1126004
 C    7.1320000   -2.2380000   -0.9340000  0.00    0.2878469    0.2792670   -0.0030883
 H    6.5530000   -1.6020000   -1.6210000  0.00    0.0383779   -0.0000299    0.0515340
 H    6.4410000   -2.6350000   -0.1720000  0.00    0.0011921   -0.0059104    0.0556799
 H    7.4940000   -3.1110000   -1.5060000  0.00    0.0187463    0.0268832    0.0517784
 C    8.4340000   -0.1520000   -0.1880000  0.00    0.0066358    0.5611006    0.1285298
 C    7.3460000    0.7740000   -0.5070000  0.00    0.4011273    0.2159439   -0.1219161
 H    7.6660000    1.7620000   -0.8680000  0.00    0.0196152   -0.0794961    0.0526135
 C    6.0020000    0.6230000   -0.3500000  0.00   -0.3551434   -0.4945151    0.2099202
 H    5.6330000   -0.3160000    0.0940000  0.00    0.0460942    0.0737241   -0.0254376
 C    4.9560000    1.5670000   -0.6580000  0.00    0.4621351    0.9295677   -0.4154039
 C    5.3680000    2.9120000   -1.2810000  0.00   -0.0709153   -0.3620148    0.1545392
 H    4.5190000    3.5810000   -1.4660000  0.00   -0.0256021   -0.0474600    0.0074258
 H    5.8830000    2.7600000   -2.2420000  0.00   -0.0014231   -0.0313795   -0.0210540
 H    6.0720000    3.4520000   -0.6300000  0.00    0.0169004   -0.0040907    0.0469417
 C    3.6560000    1.2680000   -0.3990000  0.00   -0.4287348   -0.6737573    0.3262083
 H    3.4670000    0.2680000    0.0470000  0.00    0.0539137    0.1485545   -0.0643502
 C    2.4580000    2.0400000   -0.6050000  0.00    0.5558104    0.7627845   -0.3744684
 H    2.6060000    3.0460000   -1.0430000  0.00   -0.0639176   -0.1780422    0.0742526
 C    1.2040000    1.6480000   -0.3140000  0.00   -0.4419681   -0.8260609    0.3824333
 H    1.0740000    0.6270000    0.1160000  0.00    0.0486111    0.2175347   -0.0942516
 C   -0.0340000    2.3650000   -0.4820000  0.00    0.5175770    1.1967739   -0.5345131
 C    0.0580000    3.7830000   -1.0760000  0.00    0.0385936   -0.4060616    0.1328685
 H   -0.9140000    4.2750000   -1.1760000  0.00   -0.0555255   -0.0124656    0.0117329
 H    0.5170000    3.7640000   -2.0790000  0.00    0.0040705   -0.0357832    0.0193185
 H    0.6920000    4.4360000   -0.4540000  0.00    0.0128112   -0.0297733    0.0224125
 C   -1.2170000    1.8090000   -0.1270000  0.00   -0.7316090   -0.7486783    0.3880987
 H   -1.1790000    0.7780000    0.2970000  0.00   -0.0626542    0.2642786   -0.1038538
 C   -2.5280000    2.3690000   -0.2240000  0.00    0.0278917   -0.2163418    0.0965100
 H   -2.6560000    3.3780000   -0.6200000  0.00   -0.0606247    0.0456450   -0.0191581
 N   -3.6350000    1.7250000    0.1430000  0.00    0.1177976    0.2314308   -0.1231816
 H   -3.5250000    0.7510000    0.5090000  0.00   -0.0192209   -0.0123993   -0.0101810
 C   -4.9830000    2.2850000    0.0690000  0.00    0.1880064   -0.0043733    0.2619927
 H   -4.9550000    3.2120000   -0.5360000  0.00    0.0112259   -0.0942706    0.0475299
 H   -5.6220000    1.5560000   -0.4530000  0.00   -0.0123111   -0.0103551   -0.0045737
 C   -5.5610000    2.5770000    1.4760000  0.00   -0.2353042    0.0524718   -0.2365609
 H   -5.5350000    1.6490000    2.0760000  0.00    0.0072732    0.0254319   -0.0308592
 H   -4.9120000    3.3070000    1.9910000  0.00    0.0034217   -0.0107045   -0.0118189
 C   -7.0140000    3.1140000    1.4110000  0.00    0.1889803   -0.0835602    0.3075309
 H   -7.0350000    4.0300000    0.7970000  0.00   -0.0039753    0.0057348   -0.0031131
 H   -7.6450000    2.3750000    0.8890000  0.00    0.0047259    0.0146819    0.0057714
 C   -7.6050000    3.4110000    2.8090000  0.00    0.0905261   -0.0589607   -0.3275877
 H   -8.6360000    3.7910000    2.7240000  0.00    0.0305533   -0.0181550    0.0128229
 H   -7.6310000    2.5020000    3.4310000  0.00    0.0005929    0.0119375   -0.0056727
 H   -7.0080000    4.1680000    3.3400000  0.00    0.0075441    0.0053930    0.0126173
 O   -5.7350000   -1.1390000   -0.9930000  0.00   -0.6004646   -0.1568365    0.1310389
 H   -4.8850000   -1.6990000   -0.6710000  0.00   -0.0650633    0.1006526    0.0253836
 C   -6.8740000   -1.6520000   -0.5610000  0.00    0.7180859   -0.5085940    0.3153707
 O   -7.0010000   -2.6350000    0.1530000  0.00   -0.1215732    0.6871072   -0.4914989
 C   -8.0870000   -0.8720000   -1.1030000  0.00   -0.6392693    0.2934940   -0.2412004
 F   -7.9650000    0.4740000   -0.9240000  0.00    0.0203995   -0.5752177   -0.0529743
 F   -8.2530000   -1.0820000   -2.4350000  0.00    0.1355214    0.0672324    0.6133113
 F   -9.2380000   -1.2470000   -0.4900000  0.00    0.5835319    0.1439031   -0.2586691
 O   -2.9880000   -0.7980000    1.0620000  0.00    0.3377040    0.0096729    0.1590021
 C   -2.8840000   -1.8950000    0.4940000  0.00   -0.4587563    0.5353103   -0.0223342
 O   -3.6950000   -2.3680000   -0.3250000  0.00    0.2591046   -0.5059455   -0.0906781
 C   -1.6090000   -2.6970000    0.8420000  0.00    0.4691512   -0.3922470    0.0764780
 F   -1.5110000   -2.9380000    2.1760000  0.00   -0.0640119    0.1506341   -0.5650835
 F   -1.5420000   -3.8990000    0.2190000  0.00   -0.0783187    0.4323865    0.2258632
 F   -0.4860000   -2.0130000    0.4710000  0.00   -0.4825433   -0.2074392    0.1785047
78
 Energy =   -2041.3688634273
 C    8.3135817   -1.5487349   -0.3002594  0.00    0.0954228    0.8512276    0.1021220
 C    9.3997627   -2.4666203    0.1715141  0.00   -0.0132464   -0.1817887   -0.0986966
 C   10.4704954   -1.8295271    1.0426543  0.00   -0.0395100    0.0546100    0.0999561
 C   10.9064652   -0.5117970    0.4203179  0.00    0.0398369    0.0720953   -0.0656159
 C    9.7598262    0.5260491    0.2989374  0.00   -0.0496580    0.0081707    0.0191449
 C   10.2223868    1.6183846   -0.6975528  0.00    0.0226094   -0.0313336    0.0242532
 H    9.5647114    2.5025826   -0.7209395  0.00   -0.0042273   -0.0644540    0.0212320
 H   10.2966592    1.2244746   -1.7270439  0.00   -0.0179629    0.0050566    0.0601362
 H   11.2260916    1.9856711   -0.4135776  0.00   -0.0601832   -0.0589508    0.0098939
 C    9.5073118    1.1954168    1.6790578  0.00    0.0459358   -0.0352729   -0.0377922
 H    8.6901304    1.9336326    1.6334605  0.00    0.0133261   -0.0323614   -0.0363912
 H   10.4139764    1.7290701    2.0268347  0.00   -0.0606538   -0.0650171   -0.0669709
 H    9.2381678    0.4586571    2.4550596  0.00    0.0120240    0.0120891   -0.0565937
 H   11.3147430   -0.7181484   -0.5934321  0.00   -0.0570013    0.0169916    0.0898598
 H   11.7443041   -0.0529811    0.9887115  0.00   -0.1358640   -0.0521235   -0.0579542
 H   10.0711984   -1.6591989    2.0648713  0.00    0.0334542   -0.0036765   -0.1077420
 H   11.3318270   -2.5165522    1.1664893  0.00   -0.1018197    0.0735520   -0.0466403
 H    8.9165957   -3.3284526    0.6864172  0.00    0.0712815    0.0785820   -0.0522936
 H    9.8699083   -2.9319726   -0.7362857  0.00   -0.0917961    0.0778105    0.1464245
 C    7.1429559   -2.2273707   -0.9341175  0.00   -0.0177214   -0.1616180    0.0066374
 H    6.5544607   -1.6020011   -1.6190385  0.00    0.0577138    0.0680581    0.0371541
 H    6.4410454   -2.6352250   -0.1698807  0.00    0.0931554    0.0511485   -0.0586951
 H    7.4947135   -3.1099768   -1.5040292  0.00   -0.0119014    0.0433133    0.0502150
 C    8.4342526   -0.1306437   -0.1831080  0.00    0.0629262   -0.7014804   -0.0123122
 C    7.3612675    0.7822191   -0.5116403  0.00   -0.4729556   -0.1774598    0.1003152
 H    7.6667466    1.7589743   -0.8659975  0.00    0.0682820    0.1725770   -0.0354709
 C    5.9884827    0.6041780   -0.3420101  0.00    0.4271560    0.5672240   -0.3066241
 H    5.6347544   -0.3131940    0.0930318  0.00   -0.1374298   -0.2665538    0.1415897
 C    4.9735895    1.6023807   -0.6738109  0.00   -0.4207477   -0.6417261    0.3356588
 C    5.3653009    2.8982212   -1.2751180  0.00    0.0892196    0.2884462   -0.1220551
 H    4.5180255    3.5791936   -1.4657174  0.00    0.0463211   -0.1198394    0.0303834
 H    5.8829458    2.7588057   -2.2428013  0.00   -0.0185941   -0.0272869    0.0427180
 H    6.0726433    3.4518443   -0.6282133  0.00   -0.0238085   -0.0505445   -0.0078099
 C    3.6396817    1.2423558   -0.3865840  0.00    0.4259532    0.8449362   -0.3989657
 H    3.4690520    0.2736542    0.0445507  0.00   -0.0610862   -0.3456828    0.1565942
 C    2.4791549    2.0690327   -0.6192528  0.00   -0.4385218   -0.9842778    0.4529264
 H    2.6035672    3.0392235   -1.0401738  0.00    0.0668645    0.4452739   -0.2033842
 C    1.1871781    1.6165589   -0.2994440  0.00    0.3924951    1.0454631   -0.4667662
 H    1.0758502    0.6352797    0.1124126  0.00   -0.0867557   -0.4075162    0.1738261
 C   -0.0143003    2.4105509   -0.5023443  0.00   -0.5603385   -0.9514824    0.4563551
 C    0.0594689    3.7675447   -1.0709428  0.00    0.0413878    0.4031582   -0.1591570
 H   -0.9161134    4.2745255   -1.1755534  0.00    0.0758748   -0.1132497    0.0367502
 H    0.5171549    3.7626380   -2.0782647  0.00    0.0043136   -0.0266542    0.0456891
 H    0.6924876    4.4348668   -0.4531469  0.00   -0.0120791   -0.0622009   -0.0266883
 C   -1.2448461    1.7805042   -0.1122284  0.00    0.6126755    0.8218896   -0.4041503
 H   -1.1813847    0.7880588    0.2930472  0.00   -0.0321967   -0.3394409    0.1428311
 C   -2.5269384    2.3607657   -0.2203267  0.00    0.0615864    0.0029750    0.0018497
 H   -2.6583075    3.3797373   -0.6207292  0.00    0.0227437   -0.1117245    0.0406231
 N   -3.6305165    1.7338086    0.1383115  0.00   -0.1792258   -0.1536180    0.1142206
 H   -3.5257316    0.7505281    0.5086125  0.00   -0.0182449    0.1320091   -0.0558780
 C   -4.9758442    2.2848335    0.0789718  0.00   -0.0147752   -0.0053432   -0.0485205
 H   -4.9545727    3.2084119   -0.5341909  0.00    0.0107374   -0.0884105    0.0623063
 H   -5.6224686    1.5556059   -0.4531741  0.00    0.0818585    0.0593962    0.0624819
 C   -5.5699560    2.5789972    1.4669962  0.00    0.0777577   -0.0069613    0.0976929
 H   -5.5347232    1.6499680    2.0748255  0.00   -0.0049000    0.0780585   -0.0707697
 H   -4.9118698    3.3065926    1.9905502  0.00   -0.0667527   -0.0679644   -0.0574871
 C   -7.0068071    3.1108196    1.4227051  0.00   -0.0183234    0.0049348   -0.1565560
 H   -7.0351513    4.0302183    0.7968815  0.00    0.0076962   -0.0969240    0.0778380
 H   -7.6448201    2.3755588    0.8892197  0.00    0.0611280    0.0659556    0.0610123
 C   -7.6015544    3.4087559    2.7965315  0.00    0.0659149   -0.0136204    0.0418625
 H   -8.6348371    3.7903090    2.7244881  0.00    0.0598164   -0.0313354   -0.0294726
 H   -7.6309774    2.5024544    3.4307841  0.00    0.0054896    0.0573942   -0.0517109
 H   -7.0077129    4.1682053    3.3404802  0.00   -0.0320058   -0.0525694   -0.0420137
 O   -5.7578545   -1.1449694   -0.9880125  0.00    0.4978100    0.0095151   -0.0315864
 H   -4.8874764   -1.6951690   -0.6700339  0.00   -0.1131157    0.1269173   -0.0509122
 C   -6.8466686   -1.6713578   -0.5489965  0.00   -0.5432940    1.2812796   -0.9157257
 O   -7.0056272   -2.6088477    0.1342928  0.00   -0.1973165   -1.1855118    0.8667574
 C   -8.1113315   -0.8608292   -1.1121804  0.00    0.6993923   -0.3344757    0.2691671
 F   -7.9642236    0.4521064   -0.9260163  0.00   -0.0177851    0.1239989   -0.0085740
 F   -8.2478419   -1.0794410   -2.4116565  0.00   -0.0580081    0.0086835   -0.1520319
 F   -9.2157899   -1.2415228   -0.4998453  0.00   -0.1724283   -0.0391474    0.0664251
 O   -2.9751465   -0.7976318    1.0680518  0.00    0.0650381    0.5060156    0.2485404
 C   -2.9014609   -1.8746253    0.4931499  0.00    0.2610852   -0.4454241   -0.1071251
 O   -3.6851381   -2.3872570   -0.3284513  0.00    0.0059923   -0.1757745   -0.0682716
 C   -1.5911434   -2.7119295    0.8449109  0.00   -0.5450209    0.3538457   -0.1634193
 F   -1.5134364   -2.9322667    2.1544921  0.00    0.0489170   -0.0157191    0.0705269
 F   -1.5449809   -3.8825428    0.2275967  0.00    0.0081703   -0.1554682   -0.0563272
 F   -0.5043663   -2.0208954    0.4777941  0.00    0.0700805    0.0292150    0.0259711
78
 Energy =   -2041.3805324513
 C    8.3150334   -1.5319718   -0.2982271  0.00    0.0303690    0.0615963    0.0117282
 C    9.3991904   -2.4718477    0.1687464  0.00   -0.0185395    0.0919069   -0.0097475
 C   10.4682380   -1.8264654    1.0455034  0.00    0.0292799   -0.0493168   -0.0423712
 C   10.9078382   -0.5099346    0.4186186  0.00   -0.0374664    0.0353862   -0.0145149
 C    9.7583460    0.5263954    0.2989951  0.00   -0.0211079   -0.0541754   -0.0064707
 C   10.2230818    1.6168705   -0.6964414  0.00   -0.0748155   -0.0422810    0.0076653
 H    9.5643478    2.4997477   -0.7208184  0.00   -0.0030098   -0.0532016    0.0220380
 H   10.2959775    1.2247983   -1.7251318  0.00   -0.0130597   -0.0066562    0.0388246
 H   11.2222747    1.9810132   -0.4127327  0.00    0.0112615   -0.0312775    0.0314857
 C    9.5081707    1.1932699    1.6773437  0.00   -0.0231552   -0.0510946   -0.0362904
 H    8.6910504    1.9308977    1.6323814  0.00    0.0077649   -0.0234889   -0.0355296
 H   10.4119292    1.7252103    2.0225040  0.00   -0.0104405   -0.0355401   -0.0492427
 H    9.2385035    0.4588536    2.4550016  0.00    0.0139489    0.0048528   -0.0560150
 H   11.3141895   -0.7180277   -0.5924227  0.00   -0.0419013    0.0100384    0.0548659
 H   11.7429122   -0.0536543    0.9881345  0.00   -0.1068839   -0.0320232   -0.0441949
 H   10.0715953   -1.6595966    2.0626138  0.00   -0.0031329    0.0159571   -0.0279862
 H   11.3311454   -2.5160910    1.1661057  0.00   -0.1229789    0.1013333   -0.0376709
 H    8.9169476   -3.3280595    0.6832516  0.00    0.0278489    0.0399331   -0.0278404
 H    9.8691874   -2.9307886   -0.7338630  0.00   -0.0626009    0.0520100    0.0710889
 C    7.1423205   -2.2312671   -0.9340373  0.00    0.0761635    0.0590822    0.0735590
 H    6.5573821   -1.6020000   -1.6151156  0.00    0.0240631    0.0618936    0.0054414
 H    6.4449890   -2.6350233   -0.1709683  0.00    0.0551535    0.0313737   -0.0061916
 H    7.4944364   -3.1079304   -1.5000877  0.00    0.0350217   -0.0211023    0.0033466
 C    8.4347577   -0.1425091   -0.1835356  0.00    0.0008736   -0.0721189    0.0232454
 C    7.3530064    0.7785116   -0.5095457  0.00   -0.0079623    0.0130631   -0.0048145
 H    7.6682397    1.7610458   -0.8668039  0.00    0.0354179    0.0311985    0.0103892
 C    5.9958635    0.6142335   -0.3467530  0.00    0.0140303    0.0132947   -0.0286457
 H    5.6334406   -0.3153920    0.0938525  0.00   -0.0331173   -0.0559599    0.0377310
 C    4.9652070    1.5879310   -0.6667448  0.00   -0.0297817    0.0920272   -0.0151365
 C    5.3668047    2.9043314   -1.2777136  0.00    0.0366002   -0.0511816    0.0164335
 H    4.5186531    3.5755808   -1.4651521  0.00   -0.0128615   -0.0533916    0.0093255
 H    5.8828375    2.7564170   -2.2422646  0.00   -0.0100623   -0.0224113    0.0155128
 H    6.0722670    3.4515329   -0.6284682  0.00   -0.0051836   -0.0264427    0.0134748
 C    3.6478143    1.2566232   -0.3934149  0.00    0.0760266    0.0004396   -0.0065478
 H    3.4679620    0.2696995    0.0462867  0.00    0.0111840   -0.0389599    0.0186072
 C    2.4698252    2.0526759   -0.6114506  0.00   -0.0276050    0.0139556   -0.0050502
 H    2.6048110    3.0440644   -1.0422442  0.00   -0.0009651    0.0584275   -0.0323952
 C    1.1950904    1.6341224   -0.3074448  0.00    0.0098097    0.0142682   -0.0058079
 H    1.0746644    0.6298816    0.1147387  0.00   -0.0178985   -0.0165896    0.0075505
 C   -0.0245409    2.3903760   -0.4929745  0.00   -0.0858755    0.0794347   -0.0142569
 C    0.0624068    3.7752446   -1.0736990  0.00   -0.0788999   -0.0373796    0.0094807
 H   -0.9148930    4.2735766   -1.1746603  0.00    0.0504955   -0.0711927    0.0214949
 H    0.5174648    3.7599141   -2.0767941  0.00    0.0273854   -0.0240134   -0.0108328
 H    0.6922510    4.4326004   -0.4536106  0.00    0.0362579   -0.0111005    0.0233086
 C   -1.2321549    1.7954163   -0.1197638  0.00    0.0992779   -0.0052628   -0.0086186
 H   -1.1839056    0.7824033    0.2953359  0.00   -0.0356809    0.0008099    0.0029438
 C   -2.5248152    2.3608774   -0.2202549  0.00   -0.0549181    0.0391351   -0.0021209
 H   -2.6576780    3.3785039   -0.6202337  0.00   -0.0018490   -0.0935430    0.0363514
 N   -3.6332219    1.7302943    0.1405673  0.00    0.0197382   -0.0292824    0.0264779
 H   -3.5271947    0.7509595    0.5078375  0.00   -0.0137884    0.0622882   -0.0220830
 C   -4.9763656    2.2845006    0.0774136  0.00    0.0046253   -0.1016347    0.0807195
 H   -4.9537182    3.2012358   -0.5305728  0.00    0.0157738    0.0205928   -0.0097271
 H   -5.6220613    1.5559415   -0.4530119  0.00    0.0623645    0.0458432    0.0533721
 C   -5.5677315    2.5787632    1.4696277  0.00    0.0053450    0.0192575   -0.0383245
 H   -5.5348346    1.6519039    2.0724764  0.00   -0.0016516    0.0259468   -0.0294661
 H   -4.9119936    3.3057777    1.9896505  0.00   -0.0397213   -0.0387272   -0.0341693
 C   -7.0074429    3.1109969    1.4187565  0.00    0.0620129    0.0016325   -0.0375007
 H   -7.0350515    4.0300122    0.7969954  0.00    0.0070969   -0.0702223    0.0545109
 H   -7.6444604    2.3766764    0.8896590  0.00    0.0357879    0.0358257    0.0381854
 C   -7.5946633    3.4080817    2.7979443  0.00   -0.0827756   -0.0043160   -0.0451707
 H   -8.6325113    3.7889270    2.7241480  0.00    0.1154918   -0.0463886   -0.0184167
 H   -7.6307450    2.5033631    3.4303523  0.00    0.0218200    0.0293438   -0.0348148
 H   -7.0079452    4.1680191    3.3401109  0.00    0.0150224   -0.0152319   -0.0151734
 O   -5.7474954   -1.1446280   -0.9889812  0.00   -0.0025367    0.0214107    0.0052318
 H   -4.8924292   -1.6875070   -0.6706786  0.00   -0.0279418    0.0141794   -0.0031428
 C   -6.8584406   -1.6575005   -0.5579251  0.00   -0.1671808   -0.0942472    0.0522591
 O   -7.0148817   -2.6254041    0.1462306  0.00   -0.0264306    0.1799023   -0.1238826
 C   -8.0986194   -0.8667791   -1.1073387  0.00    0.1298308   -0.0719205    0.0533115
 F   -7.9645852    0.4559890   -0.9264056  0.00    0.0248361   -0.0726885   -0.0006549
 F   -8.2493879   -1.0790615   -2.4162936  0.00    0.0303993    0.0015683    0.0784335
 F   -9.2208559   -1.2426942   -0.4978337  0.00    0.1134039    0.0061001   -0.0281406
 O   -2.9720806   -0.7968955    1.0801555  0.00    0.0747186    0.0203030   -0.0438306
 C   -2.8951279   -1.8838790    0.4914498  0.00   -0.0728755   -0.0229871   -0.0454631
 O   -3.6849046   -2.3975089   -0.3353540  0.00    0.2195254   -0.0110597    0.1519519
 C   -1.6007396   -2.7048489    0.8429280  0.00   -0.1737792    0.0520109   -0.0947288
 F   -1.5123810   -2.9328084    2.1568786  0.00   -0.0145796    0.0315512   -0.0674533
 F   -1.5446993   -3.8868952    0.2258807  0.00   -0.0307897    0.0334232    0.0210801
 F   -0.5020372   -2.0199207    0.4789509  0.00   -0.0699035   -0.0034240    0.0349734
78
 Energy =   -2041.3761503149
 C    8.3157111   -1.5306641   -0.2979634  0.00    0.0411030    0.0310824    0.0485746
 C    9.3984777   -2.4700923    0.1684431  0.00   -0.0012956    0.0911453    0.0148036
 C   10.4691989   -1.8279183    1.0446552  0.00   -0.0302293    0.0303838   -0.0364847
 C   10.9071728   -0.5081393    0.4181359  0.00   -0.2128621   -0.0922765   -0.1011678
 C    9.7572516    0.5260945    0.2989805  0.00   -0.0251548   -0.0975434   -0.0269837
 C   10.2225481    1.6150750   -0.6959278  0.00   -0.0286028   -0.0732691    0.0668910
 H    9.5641150    2.4922166   -0.7176987  0.00   -0.0386357    0.0181020    0.0173439
 H   10.2942555    1.2246144   -1.7216482  0.00   -0.0054208   -0.0264161   -0.0105285
 H   11.2228764    1.9757487   -0.4082756  0.00   -0.0051242   -0.0257750    0.0182119
 C    9.5078828    1.1902087    1.6758806  0.00   -0.0218518   -0.0446832   -0.0565798
 H    8.6923350    1.9266156    1.6273519  0.00   -0.0128450   -0.0015271   -0.0246756
 H   10.4115036    1.7205566    2.0165608  0.00    0.0147722   -0.0118666   -0.0316411
 H    9.2404780    0.4589853    2.4546064  0.00    0.0027966   -0.0178437   -0.0393561
 H   11.3134836   -0.7178534   -0.5908400  0.00   -0.0335917    0.0112375    0.0303625
 H   11.7277820   -0.0547268    0.9818784  0.00    0.0797586    0.0596280    0.0783278
 H   10.0715613   -1.6592733    2.0618216  0.00    0.0022317    0.0107488   -0.0347646
 H   11.3290820   -2.5142675    1.1655157  0.00   -0.0725835    0.0600018   -0.0344394
 H    8.9171732   -3.3276533    0.6796476  0.00    0.0187450    0.0334021   -0.0161582
 H    9.8676416   -2.9284019   -0.7315769  0.00   -0.0465883    0.0384321    0.0331947
 C    7.1428359   -2.2302241   -0.9236245  0.00    0.1248032    0.0572238   -0.2092416
 H    6.5594712   -1.6015633   -1.6144425  0.00    0.0523038    0.0229192    0.0687830
 H    6.4507126   -2.6347034   -0.1710966  0.00   -0.0405264   -0.0163422    0.1077671
 H    7.4946432   -3.1086008   -1.4998063  0.00    0.0124481    0.0494428    0.0654051
 C    8.4347648   -0.1438688   -0.1832560  0.00   -0.0071532   -0.0006847    0.0175073
 C    7.3528650    0.7787658   -0.5096416  0.00    0.0093608    0.0048604   -0.0039564
 H    7.6698489    1.7615029   -0.8666212  0.00    0.0290704    0.0218631    0.0134767
 C    5.9961142    0.6144748   -0.3472417  0.00   -0.0061776    0.0090319   -0.0206078
 H    5.6330235   -0.3159761    0.0941507  0.00   -0.0259109   -0.0367401    0.0276564
 C    4.9645685    1.5897433   -0.6670497  0.00    0.0044386    0.0453373    0.0035140
 C    5.3678507    2.9034106   -1.2774056  0.00    0.0249600   -0.0401247    0.0025322
 H    4.5185167    3.5726779   -1.4649018  0.00   -0.0113079   -0.0444407    0.0041028
 H    5.8827097    2.7518095   -2.2419585  0.00   -0.0074392   -0.0142013    0.0154880
 H    6.0721623    3.4511913   -0.6283068  0.00    0.0018508   -0.0228956    0.0151237
 C    3.6495812    1.2566306   -0.3935289  0.00    0.0282383   -0.0005836   -0.0007460
 H    3.4681307    0.2691972    0.0465207  0.00    0.0194192   -0.0264598    0.0120898
 C    2.4691984    2.0529046   -0.6115367  0.00   -0.0165700    0.0161842   -0.0065672
 H    2.6047933    3.0447955   -1.0426364  0.00   -0.0042122    0.0486374   -0.0276082
 C    1.1952932    1.6343654   -0.3075456  0.00    0.0059757    0.0189605   -0.0078653
 H    1.0743562    0.6296525    0.1148444  0.00   -0.0173183   -0.0074473    0.0037877
 C   -0.0263944    2.3919305   -0.4932584  0.00   -0.0303440    0.0464594   -0.0045152
 C    0.0604798    3.7745913   -1.0735441  0.00    0.0241570   -0.0402201   -0.0155266
 H   -0.9124650    4.2719703   -1.1734019  0.00   -0.0105889   -0.0388506    0.0064571
 H    0.5213414    3.7563346   -2.0770760  0.00   -0.0006854   -0.0165624    0.0257411
 H    0.6924285    4.4321080   -0.4533945  0.00    0.0242245   -0.0224135    0.0139421
 C   -1.2297007    1.7953214   -0.1199280  0.00   -0.0159669    0.0126990   -0.0011210
 H   -1.1867780    0.7824167    0.2953840  0.00   -0.0214365   -0.0025555    0.0029718
 C   -2.5258160    2.3622191   -0.2202933  0.00   -0.0005885   -0.0371212    0.0217696
 H   -2.6577253    3.3767485   -0.6195010  0.00   -0.0159853   -0.0459677    0.0178208
 N   -3.6329535    1.7294667    0.1412480  0.00    0.0378830   -0.0744151    0.0256810
 H   -3.5296991    0.7513449    0.5073311  0.00    0.0218048    0.0333922   -0.0128904
 C   -4.9762413    2.2701135    0.0783868  0.00    0.0600199    0.3394465    0.0278358
 H   -4.9504257    3.2025915   -0.5310614  0.00   -0.0037807   -0.1625317    0.0878803
 H   -5.6213654    1.5565001   -0.4526111  0.00   -0.0110499   -0.0751052   -0.0076821
 C   -5.5675673    2.5789350    1.4688862  0.00   -0.0103628   -0.0335517   -0.0607528
 H   -5.5348913    1.6528678    2.0708005  0.00   -0.0092402    0.0146648   -0.0001629
 H   -4.9121757    3.3046984    1.9883321  0.00   -0.0245665   -0.0272739   -0.0376127
 C   -7.0069521    3.1110846    1.4175127  0.00    0.0905492   -0.0045489    0.0090888
 H   -7.0349028    4.0295167    0.7973801  0.00    0.0065175   -0.0525348    0.0408925
 H   -7.6439523    2.3780054    0.8903939  0.00    0.0203608    0.0165859    0.0192696
 C   -7.5984996    3.4077690    2.7972111  0.00    1.6334042   -0.5514838    0.0799093
 H   -8.5430956    3.7802796    2.7235814  0.00   -1.6108932    0.5628859   -0.1479616
 H   -7.6276563    2.5043137    3.4294625  0.00    0.0020324    0.0197473   -0.0285715
 H   -7.0078710    4.1679432    3.3399021  0.00    0.0386579   -0.0605085   -0.0312693
 O   -5.7475479   -1.1438930   -0.9888435  0.00   -0.0600812   -0.0210033    0.0339546
 H   -4.8940540   -1.6865434   -0.6707210  0.00   -0.0537295    0.0231018   -0.0094291
 C   -6.8636732   -1.6584500   -0.5574430  0.00    0.0190562    0.0319982   -0.0389125
 O   -7.0163131   -2.6232227    0.1447378  0.00   -0.0599513    0.0546677   -0.0350115
 C   -8.0957216   -0.8684089   -1.1061429  0.00    0.0467757   -0.0205868    0.0177061
 F   -7.9643745    0.4545541   -0.9264378  0.00    0.0441669   -0.0686652    0.0091771
 F   -8.2488563   -1.0789779   -2.4147155  0.00    0.0447581   -0.0112578    0.0636896
 F   -9.2188460   -1.2425363   -0.4984323  0.00    0.0970251   -0.0084371   -0.0088170
 O   -2.9690147   -0.7968647    1.0783410  0.00    0.0522929    0.0570814   -0.0290988
 C   -2.8965098   -1.8843825    0.4901963  0.00    0.1190775    0.0612988    0.1148945
 O   -3.6771098   -2.3981973   -0.3305912  0.00   -0.0090382   -0.1099814   -0.0502694
 C   -1.6052316   -2.7036289    0.8401934  0.00   -0.0706132    0.0368347   -0.0144724
 F   -1.5126233   -2.9324468    2.1557119  0.00   -0.0375490    0.0350183   -0.0790954
 F   -1.5449219   -3.8861250    0.2263480  0.00   -0.0448069    0.0194204   -0.0002840
 F   -0.5032003   -2.0200230    0.4803160  0.00   -0.0827328    0.0038771    0.0158186
78
 Energy =   -2041.3803996077
 C    8.3258230   -1.5326592   -0.2983053  0.00    0.0374329    0.0429212    0.0221527
 C    9.4101356   -2.4725977    0.1687367  0.00   -0.0051363    0.0674782   -0.0041715
 C   10.4821861   -1.8304700    1.0457323  0.00   -0.0463392    0.0388428   -0.0410594
 C   10.9198003   -0.5098931    0.4185895  0.00   -0.0890037   -0.0314614   -0.0425427
 C    9.7697240    0.5251589    0.2993133  0.00   -0.0406369   -0.0706464   -0.0203003
 C   10.2340638    1.6168021   -0.6968259  0.00   -0.0197965   -0.0527248    0.0648449
 H    9.5751607    2.4979083   -0.7180839  0.00   -0.0081871   -0.0316471    0.0193062
 H   10.3069792    1.2258442   -1.7245575  0.00   -0.0106513   -0.0129516    0.0217989
 H   11.2367800    1.9775464   -0.4082372  0.00   -0.0398795   -0.0383807    0.0076609
 C    9.5195062    1.1909063    1.6779846  0.00   -0.0336918   -0.0276851   -0.0782617
 H    8.7021747    1.9288898    1.6277279  0.00    0.0161197   -0.0296897   -0.0222572
 H   10.4243459    1.7232561    2.0153140  0.00    0.0002826   -0.0223335   -0.0293546
 H    9.2515868    0.4594693    2.4573466  0.00    0.0094124   -0.0076737   -0.0466626
 H   11.3274081   -0.7187488   -0.5920875  0.00   -0.0443262    0.0141305    0.0573665
 H   11.7496772   -0.0541178    0.9870122  0.00   -0.0498338   -0.0048783   -0.0078309
 H   10.0839440   -1.6612063    2.0635139  0.00    0.0074889    0.0083025   -0.0479224
 H   11.3424485   -2.5166611    1.1668544  0.00   -0.0774010    0.0619834   -0.0366987
 H    8.9281320   -3.3317955    0.6805574  0.00    0.0306819    0.0562256   -0.0281191
 H    9.8800720   -2.9329309   -0.7333540  0.00   -0.0640963    0.0582545    0.0672155
 C    7.1533716   -2.2327655   -0.9323278  0.00    0.0771578    0.0268275    0.0135072
 H    6.5694658   -1.6033977   -1.6161607  0.00    0.0297344    0.0513823    0.0220673
 H    6.4555960   -2.6380624   -0.1711290  0.00    0.0520682    0.0351278    0.0006564
 H    7.5041612   -3.1123753   -1.5014671  0.00    0.0254334    0.0236912    0.0343361
 C    8.4451575   -0.1438634   -0.1831157  0.00   -0.0193274   -0.0309907    0.0129422
 C    7.3619383    0.7797273   -0.5102724  0.00    0.0041431    0.0102121   -0.0010559
 H    7.6813849    1.7636180   -0.8676560  0.00    0.0140250   -0.0061255    0.0231187
 C    6.0034786    0.6152356   -0.3476359  0.00    0.0086197    0.0195133   -0.0251263
 H    5.6400111   -0.3163149    0.0942467  0.00   -0.0181871   -0.0191073    0.0185888
 C    4.9707677    1.5917945   -0.6678544  0.00   -0.0192497    0.0326042    0.0128786
 C    5.3741223    2.9069052   -1.2789733  0.00    0.0410429   -0.0740088   -0.0033108
 H    4.5240589    3.5750768   -1.4664882  0.00   -0.0092672   -0.0417002    0.0033560
 H    5.8893000    2.7512892   -2.2447846  0.00   -0.0202377   -0.0024805    0.0404076
 H    6.0796699    3.4532851   -0.6288860  0.00   -0.0063342   -0.0249507    0.0045164
 C    3.6537291    1.2581929   -0.3940144  0.00    0.0510514    0.0071953   -0.0059678
 H    3.4724313    0.2695608    0.0465621  0.00    0.0219158   -0.0068466    0.0031456
 C    2.4722877    2.0554302   -0.6122888  0.00   -0.0284944    0.0075575   -0.0018209
 H    2.6079972    3.0485027   -1.0438944  0.00   -0.0068324    0.0282096   -0.0187859
 C    1.1967606    1.6364086   -0.3079371  0.00    0.0138956    0.0262664   -0.0111187
 H    1.0757219    0.6304248    0.1149870  0.00   -0.0148447    0.0143217   -0.0053844
 C   -0.0261126    2.3949241   -0.4938608  0.00   -0.0483486    0.0299763    0.0061724
 C    0.0604983    3.7791937   -1.0748940  0.00    0.0261371   -0.0564302   -0.0063336
 H   -0.9148840    4.2737223   -1.1743968  0.00    0.0063581   -0.0390604    0.0072562
 H    0.5206605    3.7582448   -2.0796692  0.00   -0.0060784   -0.0106656    0.0397928
 H    0.6935294    4.4373421   -0.4538508  0.00    0.0078231   -0.0351935   -0.0027256
 C   -1.2317572    1.7975664   -0.1200701  0.00    0.0052186    0.0237380   -0.0105254
 H   -1.1888904    0.7833702    0.2957516  0.00   -0.0218263    0.0187830   -0.0059947
 C   -2.5292160    2.3648831   -0.2205494  0.00    0.0047640   -0.0404019    0.0233738
 H   -2.6610246    3.3810039   -0.6202974  0.00   -0.0118921   -0.0713409    0.0292337
 N   -3.6373890    1.7316835    0.1412732  0.00    0.0230971   -0.0052961    0.0187396
 H   -3.5325741    0.7523212    0.5072365  0.00    0.0011286    0.0532751   -0.0187638
 C   -4.9822413    2.2837646    0.0794518  0.00    0.0194550    0.0094111    0.0148039
 H   -4.9575347    3.2059048   -0.5314919  0.00    0.0085542   -0.0602622    0.0412097
 H   -5.6284722    1.5581319   -0.4532173  0.00    0.0625713    0.0351661    0.0535809
 C   -5.5744744    2.5823105    1.4705015  0.00   -0.0211519   -0.0330855   -0.0743717
 H   -5.5417090    1.6555340    2.0731776  0.00   -0.0039431    0.0256522   -0.0225705
 H   -4.9183218    3.3061078    1.9855584  0.00   -0.0079147    0.0047919    0.0010884
 C   -7.0143101    3.1148732    1.4196391  0.00    0.0693298    0.0052834   -0.0063464
 H   -7.0435492    4.0343908    0.7984645  0.00    0.0077236   -0.0709876    0.0625496
 H   -7.6517093    2.3822845    0.8931491  0.00    0.0234371    0.0104552    0.0119300
 C   -7.6042204    3.4052094    2.8004713  0.00   -0.0020345    0.2224847   -0.0886221
 H   -8.6389870    3.7931642    2.7242879  0.00    0.1055004   -0.0620811   -0.0152836
 H   -7.6379310    2.5088800    3.4299847  0.00    0.0118055   -0.0849856    0.0357342
 H   -7.0164586    4.1730162    3.3440180  0.00   -0.0334889   -0.0917421   -0.0587178
 O   -5.7547234   -1.1454397   -0.9900024  0.00   -0.0574572   -0.0374584    0.0454222
 H   -4.9006887   -1.6888076   -0.6715533  0.00   -0.0556001    0.0280428   -0.0107723
 C   -6.8703000   -1.6604452   -0.5581798  0.00   -0.0360263   -0.0013007   -0.0145547
 O   -7.0251730   -2.6263548    0.1448564  0.00   -0.0394493    0.1170709   -0.0803997
 C   -8.1062756   -0.8691032   -1.1077606  0.00    0.0811947   -0.0355436    0.0259707
 F   -7.9739490    0.4545662   -0.9275297  0.00    0.0355334   -0.0907826    0.0030207
 F   -8.2588288   -1.0803816   -2.4171901  0.00    0.0423434   -0.0031901    0.0888525
 F   -9.2294159   -1.2440868   -0.4991722  0.00    0.1150202    0.0010004   -0.0219821
 O   -2.9728119   -0.7976201    1.0790480  0.00    0.0594927    0.0114761   -0.0540586
 C   -2.8999108   -1.8865400    0.4912127  0.00    0.0725324    0.0534182    0.0771749
 O   -3.6829912   -2.4011569   -0.3312362  0.00    0.0587062   -0.0683278    0.0199575
 C   -1.6058724   -2.7071434    0.8423253  0.00   -0.1126474    0.0397558   -0.0518597
 F   -1.5145644   -2.9355411    2.1575508  0.00   -0.0291066    0.0332070   -0.0858987
 F   -1.5474716   -3.8908338    0.2266947  0.00   -0.0378752    0.0529826    0.0223521
 F   -0.5046461   -2.0225009    0.4808084  0.00   -0.0919354   -0.0116702    0.0256559
78
 Energy =   -2041.3810044985
 C    8.3278875   -1.5317912   -0.2982584  0.00    0.1076238    0.0342591    0.0554150
 C    9.4093016   -2.4709107    0.1686722  0.00    0.0073953    0.1045493    0.0241424
 C   10.4787535   -1.8290903    1.0447489  0.00   -0.0197578    0.0387966   -0.0574324
 C   10.9196119   -0.5108004    0.4184994  0.00   -0.2182354   -0.0422067   -0.0473907
 C    9.7657635    0.5229516    0.2985288  0.00    0.0245044   -0.1118759   -0.0011433
 C   10.2340219    1.6100020   -0.6908093  0.00   -0.1128314    0.0180430   -0.0514474
 H    9.5751434    2.4942876   -0.7124659  0.00    0.0173173   -0.0572029    0.0236431
 H   10.3030595    1.2258168   -1.7225957  0.00   -0.0086534   -0.0171638    0.0376222
 H   11.2332524    1.9704237   -0.4082092  0.00    0.0296138   -0.0211503    0.0386281
 C    9.5176498    1.1908477    1.6719310  0.00    0.0168457   -0.0940936   -0.0001503
 H    8.7022088    1.9242979    1.6216505  0.00   -0.0327750    0.0205288   -0.0193323
 H   10.4245964    1.7203304    2.0085543  0.00   -0.0058976   -0.0108930   -0.0347143
 H    9.2553999    0.4594531    2.4554360  0.00    0.0026942    0.0088328   -0.0633003
 H   11.3229056   -0.7181440   -0.5905281  0.00   -0.0170784    0.0041122    0.0163377
 H   11.7412576   -0.0541639    0.9865456  0.00    0.0264780    0.0282444    0.0359184
 H   10.0846851   -1.6606492    2.0613551  0.00   -0.0157397    0.0168387   -0.0117052
 H   11.3363586   -2.5137626    1.1650309  0.00   -0.0367660    0.0283799   -0.0292654
 H    8.9296584   -3.3302067    0.6768749  0.00    0.0082541    0.0310088   -0.0035450
 H    9.8751875   -2.9295718   -0.7315562  0.00   -0.0298448    0.0381299    0.0215476
 C    7.1704332   -2.2327087   -0.9318001  0.00   -0.2414693    0.0331082    0.0327782
 H    6.5826333   -1.6023759   -1.6161140  0.00    0.0537333    0.0303722    0.0420134
 H    6.4557062   -2.6357699   -0.1711276  0.00    0.1497191    0.0774983   -0.0787459
 H    7.5057880   -3.1123251   -1.5013944  0.00    0.0775685   -0.0310693    0.0118036
 C    8.4440660   -0.1444213   -0.1828365  0.00    0.0317451   -0.0371974    0.0192199
 C    7.3691432    0.7799324   -0.5105021  0.00   -0.2275543    0.0244865   -0.0024870
 H    7.6921386    1.7631551   -0.8670570  0.00    0.0006861   -0.0079887    0.0254738
 C    6.0034968    0.6155844   -0.3480415  0.00    0.1135031    0.0418435   -0.0420323
 H    5.6392534   -0.3166820    0.0944434  0.00   -0.0032678   -0.0073516    0.0111827
 C    4.9657301    1.5924536   -0.6675927  0.00    0.1574469    0.0183092   -0.0025468
 C    5.3767418    2.9053837   -1.2789803  0.00   -0.1126160   -0.0831796   -0.0047092
 H    4.5236123    3.5717425   -1.4662319  0.00    0.0098029   -0.0428681    0.0027177
 H    5.8859564    2.7511791   -2.2434909  0.00    0.0187657   -0.0167056   -0.0072245
 H    6.0738599    3.4504927   -0.6288764  0.00    0.0614225    0.0158516    0.0542879
 C    3.6548976    1.2582082   -0.3941176  0.00   -0.0526188    0.0087880    0.0042336
 H    3.4734353    0.2695464    0.0465766  0.00    0.0196490   -0.0036680    0.0024681
 C    2.4716556    2.0576428   -0.6125774  0.00   -0.0289799    0.0276800   -0.0158998
 H    2.6077301    3.0536220   -1.0465732  0.00   -0.0139908   -0.0295799    0.0084509
 C    1.1970421    1.6368507   -0.3081304  0.00    0.0058149    0.0677532   -0.0182287
 H    1.0753808    0.6304551    0.1149033  0.00   -0.0147921    0.0243997   -0.0094694
 C   -0.0270742    2.4003681   -0.4935129  0.00   -0.0239480   -0.1074012    0.0335354
 C    0.0610903    3.7780636   -1.0758240  0.00    0.0079929   -0.0086918    0.0239859
 H   -0.9139765    4.2712628   -1.1738442  0.00   -0.0058720   -0.0239349    0.0031720
 H    0.5200826    3.7582223   -2.0780170  0.00    0.0137825   -0.0154146   -0.0016872
 H    0.6940545    4.4346113   -0.4538565  0.00    0.0122369   -0.0227317   -0.0019478
 C   -1.2312507    1.7979931   -0.1202705  0.00    0.0409650    0.0221115   -0.0082469
 H   -1.1925142    0.7834099    0.2955059  0.00   -0.0008353    0.0224753   -0.0085392
 C   -2.5261898    2.3631185   -0.2197153  0.00   -0.0949340   -0.0154026    0.0215155
 H   -2.6617343    3.3784271   -0.6194147  0.00   -0.0026342   -0.0621273    0.0266330
 N   -3.6373401    1.7316722    0.1416899  0.00    0.0664569    0.0026682    0.0206080
 H   -3.5325717    0.7532829    0.5065295  0.00    0.0000766    0.0405973   -0.0116675
 C   -4.9822001    2.2841538    0.0806616  0.00    0.0747763    0.0231650   -0.0030218
 H   -4.9526047    3.2057773   -0.5314047  0.00   -0.0065352   -0.0614899    0.0478042
 H   -5.6224321    1.5582064   -0.4526871  0.00    0.0241550    0.0140580    0.0298328
 C   -5.5758913    2.5800474    1.4686808  0.00    0.0333773    0.0364212   -0.0503250
 H   -5.5467841    1.6574108    2.0717563  0.00    0.0062757   -0.0219425    0.0003546
 H   -4.9212431    3.3061179    1.9856364  0.00   -0.0105345   -0.0175710   -0.0079943
 C   -7.0087755    3.1148844    1.4187648  0.00    0.0113888    0.0448964    0.0674270
 H   -7.0409145    4.0321966    0.8011727  0.00    0.0166150   -0.0220112    0.0275359
 H   -7.6485000    2.3895820    0.8976275  0.00   -0.0260219   -0.0596440   -0.0434753
 C   -7.6042247    3.4059452    2.7987569  0.00    0.1044585    0.1005189   -0.0524855
 H   -8.6330929    3.7918843    2.7242555  0.00    0.0128808   -0.0314653   -0.0309520
 H   -7.6356556    2.5051747    3.4300604  0.00    0.0090026   -0.0228133   -0.0053701
 H   -7.0165295    4.1706935    3.3421119  0.00   -0.0163374   -0.0659338   -0.0374284
 O   -5.7560894   -1.1483687   -0.9884575  0.00   -0.0167317   -0.0149737    0.0320086
 H   -4.9055118   -1.6870436   -0.6717754  0.00   -0.0125240   -0.0074556   -0.0006089
 C   -6.8703762   -1.6604480   -0.5586201  0.00   -0.1721181   -0.0433828    0.0236355
 O   -7.0422208   -2.6248632    0.1438422  0.00    0.0409843    0.1260191   -0.0901988
 C   -8.1043268   -0.8698054   -1.1072314  0.00    0.1191496   -0.0229723    0.0197342
 F   -7.9713940    0.4523664   -0.9275233  0.00    0.0390667   -0.0417181    0.0094496
 F   -8.2560960   -1.0809366   -2.4149038  0.00    0.0344826   -0.0114396    0.0335442
 F   -9.2248138   -1.2439224   -0.4997375  0.00    0.0610981   -0.0150839    0.0062159
 O   -2.9672293   -0.7975958    1.0767221  0.00    0.0168736    0.1097778   -0.0082296
 C   -2.8997573   -1.8854212    0.4932923  0.00    0.1062954   -0.0734478   -0.0141913
 O   -3.6778945   -2.4060117   -0.3310529  0.00    0.0177636   -0.0176064    0.0381598
 C   -1.6083040   -2.7062273    0.8411080  0.00   -0.0995630    0.0425223   -0.0292504
 F   -1.5154760   -2.9332904    2.1550222  0.00   -0.0335054    0.0152375   -0.0343946
 F   -1.5497061   -3.8891939    0.2267420  0.00   -0.0374856    0.0296819    0.0059782
 F   -0.5072313   -2.0225256    0.4826319  0.00   -0.0595821    0.0093588   -0.0025401
78
 Energy =   -2041.3805558414
 C    8.3395157   -1.5305636   -0.2945190  0.00   -0.2805846    0.0096385   -0.0900934
 C    9.4097938   -2.4633051    0.1687272  0.00   -0.0120224   -0.0950947    0.0810406
 C   10.4762021   -1.8273562    1.0406595  0.00   -0.1077230    0.0306292    0.0548544
 C   10.8910601   -0.5116948    0.4136382  0.00    0.5618433    0.0324831    0.0793719
 C    9.7672534    0.5138534    0.2984820  0.00   -0.2527728    0.0956128   -0.0660163
 C   10.2200593    1.6117358   -0.6934710  0.00    0.2933956   -0.1673755    0.1319008
 H    9.5751551    2.4888298   -0.6974146  0.00   -0.1252321    0.1125998    0.0005690
 H   10.2973570    1.2231812   -1.7198981  0.00   -0.0326502   -0.0058560   -0.0104804
 H   11.2347557    1.9616807   -0.4025272  0.00   -0.1506871   -0.0581379   -0.0301489
 C    9.5182686    1.1756510    1.6719193  0.00   -0.0442326    0.3020190   -0.1647133
 H    8.7021860    1.9261750    1.6140809  0.00    0.0897414   -0.1293961    0.0018223
 H   10.4243574    1.7175447    1.9972462  0.00   -0.0203357   -0.0499939   -0.0200963
 H    9.2569290    0.4594618    2.4495430  0.00   -0.0474474   -0.1449454    0.1009808
 H   11.3200836   -0.7178958   -0.5899071  0.00   -0.0852620    0.0079093    0.0434856
 H   11.7441789   -0.0541246    0.9869287  0.00   -0.2817224   -0.1057366   -0.1472788
 H   10.0841829   -1.6582544    2.0606573  0.00   -0.0114443    0.0003752   -0.0440874
 H   11.3308486   -2.5113147    1.1618675  0.00    0.0094992    0.0306534   -0.0409283
 H    8.9302201   -3.3282530    0.6763437  0.00    0.0230389    0.0738731   -0.0334023
 H    9.8709314   -2.9232074   -0.7307079  0.00   -0.0052571    0.0206659   -0.0070938
 C    7.1575032   -2.2300653   -0.9305821  0.00    0.4701933   -0.1111845    0.0674030
 H    6.5990244   -1.6008988   -1.6088455  0.00   -0.1529493    0.1988061   -0.1477769
 H    6.4729063   -2.6325045   -0.1711290  0.00   -0.0646850   -0.0123712    0.0921814
 H    7.5156250   -3.1123536   -1.5013563  0.00   -0.0136049    0.0860210    0.0727068
 C    8.4447445   -0.1451404   -0.1818075  0.00   -0.0168287    0.0258589    0.0145017
 C    7.3620672    0.7815289   -0.5106480  0.00    0.1830448   -0.0002087   -0.0163897
 H    7.6926917    1.7628894   -0.8657705  0.00   -0.0121588   -0.0093795    0.0187305
 C    6.0115744    0.6181581   -0.3504984  0.00   -0.2686463   -0.0859596    0.0566523
 H    5.6390874   -0.3169116    0.0947405  0.00    0.0427835    0.0721917   -0.0320223
 C    4.9702189    1.5932977   -0.6676359  0.00    0.0135465   -0.0348014    0.0232066
 C    5.3748220    2.9018649   -1.2793027  0.00    0.0988820   -0.0077924    0.0716949
 H    4.5238419    3.5628699   -1.4657489  0.00   -0.0484770    0.0131392   -0.0115587
 H    5.8875651    2.7467716   -2.2436871  0.00    0.0081055   -0.0049406    0.0132323
 H    6.0791267    3.4515775   -0.6219214  0.00   -0.0510118   -0.0574663   -0.0561877
 C    3.6543045    1.2594538   -0.3940747  0.00    0.0557670    0.0137104   -0.0092795
 H    3.4770173    0.2695296    0.0466202  0.00    0.0085234    0.0050544    0.0006212
 C    2.4699208    2.0593377   -0.6135341  0.00    0.0348169   -0.0282187    0.0058825
 H    2.6059408    3.0510016   -1.0457420  0.00   -0.0013690    0.0433685   -0.0239448
 C    1.1972446    1.6408950   -0.3092361  0.00   -0.0320947   -0.0705411    0.0384688
 H    1.0725273    0.6317715    0.1147261  0.00    0.0064914    0.0658676   -0.0270957
 C   -0.0280180    2.3961120   -0.4913164  0.00    0.0152832    0.0570174   -0.0353465
 C    0.0613510    3.7778578   -1.0750883  0.00   -0.0081154   -0.1035567    0.0015002
 H   -0.9144122    4.2673709   -1.1734151  0.00   -0.0142039   -0.0067178    0.0007405
 H    0.5204836    3.7526695   -2.0780843  0.00    0.0052376   -0.0064438    0.0121831
 H    0.6944918    4.4296302   -0.4539790  0.00    0.0347754    0.0124879    0.0217266
 C   -1.2302059    1.7993570   -0.1206550  0.00   -0.0539719   -0.0360339    0.0249658
 H   -1.1926584    0.7849841    0.2952509  0.00   -0.0018491    0.0157866   -0.0054001
 C   -2.5290714    2.3620313   -0.2183209  0.00    0.1268952    0.0257170   -0.0167292
 H   -2.6619362    3.3750818   -0.6183091  0.00   -0.0164961   -0.0261921    0.0153114
 N   -3.6324143    1.7316760    0.1431037  0.00   -0.0727346   -0.0100540    0.0422697
 H   -3.5325715    0.7553969    0.5053670  0.00    0.0188382   -0.0177684    0.0113211
 C   -4.9723519    2.2849614    0.0804565  0.00   -0.0946075   -0.0951278    0.0250838
 H   -4.9547399    3.1990404   -0.5302038  0.00    0.0304372    0.0369783   -0.0156017
 H   -5.6186343    1.5582560   -0.4520211  0.00    0.0662795    0.0367255    0.0519112
 C   -5.5750240    2.5812332    1.4648706  0.00    0.0567255    0.0013281    0.0366691
 H   -5.5436673    1.6565455    2.0717783  0.00   -0.0061456    0.0267529   -0.0351342
 H   -4.9222128    3.3061100    1.9855678  0.00    0.0013208   -0.0125006   -0.0070514
 C   -7.0076876    3.1231410    1.4195639  0.00   -0.0371900   -0.2896569   -0.0224400
 H   -7.0292690    4.0312105    0.8033025  0.00   -0.0167184    0.0922753   -0.0408989
 H   -7.6501885    2.3833729    0.8941134  0.00    0.0789717    0.0993051    0.0382812
 C   -7.6042205    3.4065516    2.7962669  0.00    0.1031541    0.0526005   -0.0171249
 H   -8.6322732    3.7905689    2.7186386  0.00   -0.0039613   -0.0229652   -0.0205774
 H   -7.6331236    2.5038150    3.4300505  0.00    0.0054463    0.0120115   -0.0433856
 H   -7.0165970    4.1676170    3.3387608  0.00   -0.0021633   -0.0248262   -0.0067848
 O   -5.7566506   -1.1503193   -0.9868038  0.00   -0.1021685    0.0069164    0.0152243
 H   -4.9069141   -1.6874141   -0.6717887  0.00   -0.0308526   -0.0130475    0.0067559
 C   -6.8782723   -1.6615716   -0.5583476  0.00    0.1672547    0.1095791   -0.0866133
 O   -7.0335342   -2.6223423    0.1423131  0.00   -0.0817377   -0.0769647    0.0572865
 C   -8.0981780   -0.8710887   -1.1065750  0.00    0.0271330    0.0137994    0.0092989
 F   -7.9624348    0.4504959   -0.9261979  0.00    0.0363654   -0.0476028    0.0108367
 F   -8.2478477   -1.0819001   -2.4135172  0.00    0.0285878   -0.0130939    0.0166009
 F   -9.2195991   -1.2440766   -0.4996129  0.00    0.0418444   -0.0081049    0.0032338
 O   -2.9650190   -0.7933533    1.0763044  0.00    0.0326083   -0.0141072   -0.0714407
 C   -2.8952738   -1.8860689    0.4929693  0.00   -0.0131493    0.0589337    0.0008945
 O   -3.6756832   -2.4076968   -0.3301509  0.00    0.0500339    0.0031584    0.0658749
 C   -1.6113951   -2.7031484    0.8395331  0.00   -0.0669749   -0.0143937    0.0088003
 F   -1.5178600   -2.9313819    2.1533336  0.00   -0.0404302    0.0152446   -0.0191115
 F   -1.5540214   -3.8871050    0.2267593  0.00   -0.0385784    0.0225811   -0.0036816
 F   -0.5119923   -2.0225146    0.4824677  0.00   -0.0077096    0.0393151   -0.0244452
78
 Energy =   -2041.3813900550
 C    8.3311112   -1.5300830   -0.2968343  0.00   -0.0344143    0.0004094    0.0335529
 C    9.4094890   -2.4669278    0.1702517  0.00   -0.0898250    0.1819611   -0.0630563
 C   10.4597802   -1.8241972    1.0426573  0.00    0.3811651   -0.0479028   -0.0447161
 C   10.9116243   -0.5113058    0.4166820  0.00   -0.1743918    0.0174452    0.1075543
 C    9.7658952    0.5180459    0.2953060  0.00   -0.0821308   -0.0279691   -0.0132712
 C   10.2301438    1.6101707   -0.6915561  0.00   -0.1507283   -0.1129846   -0.0054139
 H    9.5751448    2.4924490   -0.6970434  0.00    0.0035767    0.0051279    0.0212301
 H   10.2730050    1.2218164   -1.7204858  0.00    0.0285694   -0.0001909   -0.0081188
 H   11.2334993    1.9431557   -0.4050180  0.00    0.0808971    0.0344411    0.0061503
 C    9.5178204    1.1872379    1.6613794  0.00   -0.2073701   -0.1748948    0.0426635
 H    8.7022027    1.9245550    1.6147330  0.00   -0.0034128   -0.0101391   -0.0264843
 H   10.4178826    1.7082905    1.9817003  0.00    0.1875880    0.1124387    0.0633998
 H    9.2554821    0.4594536    2.4531653  0.00    0.0202535    0.0418854   -0.1037862
 H   11.3005157   -0.7173085   -0.5882571  0.00    0.0624669   -0.0371990   -0.1045152
 H   11.7415086   -0.0541556    0.9866207  0.00   -0.0593712   -0.0281460   -0.0281353
 H   10.0791034   -1.6581998    2.0580011  0.00   -0.0642146    0.0264069    0.0707119
 H   11.3319799   -2.5088816    1.1531158  0.00   -0.1638593    0.1099626   -0.0109618
 H    8.9374394   -3.3216672    0.6725120  0.00   -0.0660979   -0.0882454    0.0571525
 H    9.8700214   -2.9156762   -0.7309180  0.00    0.0250520   -0.0050922   -0.0355996
 C    7.1660460   -2.2321022   -0.9281719  0.00   -0.0433013    0.1957935   -0.1093681
 H    6.5868947   -1.5854515   -1.6145050  0.00    0.0829528   -0.0763081    0.0942965
 H    6.4677171   -2.6329540   -0.1711283  0.00    0.0026836    0.0222755    0.0450638
 H    7.5141572   -3.1123327   -1.4892773  0.00    0.0442356   -0.0191536   -0.0214507
 C    8.4445094   -0.1448455   -0.1806182  0.00   -0.0214091    0.0060794   -0.0312814
 C    7.3652216    0.7815154   -0.5124741  0.00   -0.0427239   -0.0473188    0.0326345
 H    7.6921681    1.7624497   -0.8643153  0.00    0.0028454    0.0281129    0.0039073
 C    6.0058960    0.6164270   -0.3490879  0.00   -0.0112122   -0.0093974   -0.0053951
 H    5.6392416   -0.3167032    0.0945203  0.00    0.0105950    0.0199945   -0.0031348
 C    4.9706415    1.5927446   -0.6675969  0.00    0.0243967    0.0174657    0.0131986
 C    5.3757196    2.9015012   -1.2790002  0.00    0.0418613   -0.0165509    0.0126445
 H    4.5236509    3.5649514   -1.4661400  0.00   -0.0200266   -0.0167007   -0.0074664
 H    5.8887883    2.7449207   -2.2435602  0.00    0.0022213   -0.0008412    0.0187907
 H    6.0767372    3.4507272   -0.6254587  0.00   -0.0033682   -0.0271063   -0.0113714
 C    3.6546097    1.2658815   -0.3941041  0.00    0.0342278   -0.1588112    0.0487255
 H    3.4797616    0.2695393    0.0466349  0.00    0.0120822    0.0840398   -0.0287927
 C    2.4708676    2.0584821   -0.6132757  0.00   -0.0176641    0.0510614   -0.0154890
 H    2.6057467    3.0525595   -1.0463564  0.00   -0.0109219    0.0083257   -0.0092564
 C    1.1970732    1.6388321   -0.3084859  0.00   -0.0057874    0.0996747   -0.0317290
 H    1.0733976    0.6390999    0.1130210  0.00   -0.0136563   -0.0799437    0.0335014
 C   -0.0276503    2.3975879   -0.4924435  0.00    0.0020914   -0.0781436    0.0197707
 C    0.0612197    3.7708218   -1.0750392  0.00    0.0093437    0.0928445    0.0128316
 H   -0.9152857    4.2658524   -1.1732844  0.00    0.0265557   -0.0357026    0.0024769
 H    0.5207294    3.7486809   -2.0780252  0.00    0.0051968   -0.0103850    0.0106783
 H    0.6967834    4.4313963   -0.4538666  0.00   -0.0184410   -0.0552788   -0.0307560
 C   -1.2307999    1.7985118   -0.1203659  0.00   -0.0098933    0.0290445   -0.0056513
 H   -1.1929628    0.7869063    0.2948124  0.00   -0.0000637   -0.0268009    0.0119330
 C   -2.5274230    2.3627112   -0.2189308  0.00   -0.0253743   -0.0838293    0.0529406
 H   -2.6643727    3.3726436   -0.6168139  0.00   -0.0120997    0.0221104   -0.0079462
 N   -3.6349883    1.7316730    0.1485895  0.00    0.0617469    0.0595073   -0.0440815
 H   -3.5294226    0.7547533    0.5059395  0.00    0.0008164   -0.0244519    0.0233853
 C   -4.9778525    2.2843120    0.0806395  0.00    0.1131285    0.0277673    0.0727561
 H   -4.9529821    3.2015703   -0.5304993  0.00    0.0174669   -0.0033203    0.0118774
 H   -5.6145149    1.5633375   -0.4512116  0.00   -0.0335043   -0.0579527   -0.0054362
 C   -5.5660681    2.5812781    1.4664767  0.00   -0.1906643   -0.0575091   -0.0557353
 H   -5.5452094    1.6570209    2.0717566  0.00    0.0215652    0.0074841   -0.0228809
 H   -4.9221048    3.3037062    1.9850637  0.00    0.0719888    0.0609670    0.0376142
 C   -7.0085204    3.1159924    1.4193643  0.00    0.1744161   -0.0403419   -0.0402496
 H   -7.0351098    4.0320067    0.8020297  0.00    0.0029850   -0.0050002    0.0108104
 H   -7.6489185    2.3872521    0.8957588  0.00    0.0093963   -0.0141907   -0.0053979
 C   -7.5887403    3.4072172    2.7950610  0.00   -0.3142197    0.0390462   -0.1129012
 H   -8.6324660    3.7901295    2.7074977  0.00    0.2073304   -0.0891916    0.0224843
 H   -7.6292459    2.5042840    3.4213729  0.00    0.0155562   -0.0283457    0.0127287
 H   -7.0166073    4.1657589    3.3380188  0.00    0.0976909    0.0719330    0.0488632
 O   -5.7678425   -1.1497030   -0.9853038  0.00    0.2928064    0.0286593   -0.0300091
 H   -4.9112424   -1.6883805   -0.6717765  0.00   -0.0626171    0.0258682   -0.0124654
 C   -6.8743808   -1.6607666   -0.5585617  0.00   -0.2054247   -0.0523409    0.0424153
 O   -7.0393198   -2.6232981    0.1429070  0.00   -0.0133866   -0.0198449    0.0135012
 C   -8.0963649   -0.8706071   -1.1059901  0.00    0.3127735   -0.0375578    0.0367070
 F   -7.9361545    0.4483345   -0.9238868  0.00   -0.0595759   -0.0148912    0.0034224
 F   -8.2319235   -1.0834429   -2.4121587  0.00   -0.0419873    0.0071449   -0.0370330
 F   -9.2082661   -1.2442555   -0.4994778  0.00   -0.1027740    0.0190559    0.0270819
 O   -2.9611600   -0.7938364    1.0729773  0.00    0.0108897    0.0746648   -0.0269265
 C   -2.8957674   -1.8857806    0.4929884  0.00    0.0575933    0.0526137    0.0266405
 O   -3.6729783   -2.4074405   -0.3277734  0.00   -0.0822200   -0.0268687   -0.0333995
 C   -1.6177479   -2.7039271    0.8398973  0.00    0.0344426    0.0820986   -0.0340966
 F   -1.5245736   -2.9289785    2.1512220  0.00   -0.0219850    0.0001349    0.0191718
 F   -1.5654824   -3.8853355    0.2267527  0.00   -0.0008847    0.0062799   -0.0130841
 F   -0.5126999   -2.0159100    0.4809696  0.00   -0.1133260   -0.0627146    0.0066821
78
 Energy =   -2041.3800565493
 C    8.3299363   -1.5300617   -0.2962061  0.00   -0.2062899    0.0883568   -0.0217594
 C    9.3831693   -2.4645485    0.1695846  0.00    0.5972165    0.0873722   -0.0280510
 C   10.4725836   -1.8261241    1.0417601  0.00   -0.3516500    0.1143926    0.0474784
 C   10.9067532   -0.5108546    0.4224076  0.00   -0.0108856   -0.0015626   -0.1027901
 C    9.7652415    0.5170971    0.2945069  0.00   -0.1550683   -0.0349245    0.0426422
 C   10.2267213    1.6069197   -0.6916316  0.00   -0.0080181   -0.0199281    0.0446698
 H    9.5751451    2.4926217   -0.6862176  0.00   -0.0038625   -0.0161647   -0.0138965
 H   10.2843693    1.2217704   -1.7210722  0.00   -0.0082703    0.0041359   -0.0048651
 H   11.2339382    1.9500474   -0.4045959  0.00   -0.0113980   -0.0147027   -0.0028002
 C    9.5008019    1.1829887    1.6635478  0.00    0.3927930    0.0355909    0.0327923
 H    8.7022021    1.9244172    1.6141229  0.00   -0.1372305    0.0711930   -0.0267133
 H   10.4237241    1.7146964    1.9935045  0.00   -0.1605609   -0.0838829   -0.0632315
 H    9.2559149    0.4594554    2.4513294  0.00   -0.0512919   -0.0542827   -0.0075434
 H   11.3087900   -0.7177928   -0.5894223  0.00   -0.0139222    0.0009913    0.0371421
 H   11.7407955   -0.0541668    0.9865480  0.00   -0.0679792   -0.0141067   -0.0121564
 H   10.0586484   -1.6550465    2.0596372  0.00    0.0949329   -0.0203098   -0.1058868
 H   11.3309106   -2.4946281    1.1499143  0.00    0.0538465   -0.1071450    0.0185597
 H    8.9320861   -3.3252520    0.6749303  0.00   -0.1144534   -0.1040397    0.0659694
 H    9.8707735   -2.9171651   -0.7321545  0.00   -0.1126609    0.0568098    0.0863143
 C    7.1653256   -2.2308030   -0.9296631  0.00    0.0006406    0.0941390   -0.0517181
 H    6.5911600   -1.5897361   -1.6123004  0.00    0.0109210    0.0022874    0.0169165
 H    6.4679238   -2.6326650   -0.1711275  0.00    0.0076336    0.0248283    0.0317947
 H    7.5152798   -3.1123365   -1.4920291  0.00    0.0322034    0.0101343    0.0011775
 C    8.4434920   -0.1447549   -0.1814308  0.00    0.0046749   -0.0229868   -0.0314379
 C    7.3646247    0.7786280   -0.5112585  0.00   -0.0332601    0.0456911   -0.0088117
 H    7.6922674    1.7627794   -0.8639317  0.00   -0.0129427   -0.0216123    0.0214758
 C    6.0056486    0.6162145   -0.3492106  0.00   -0.0060259   -0.0244970    0.0043118
 H    5.6392924   -0.3166234    0.0944964  0.00    0.0047740    0.0152223   -0.0017524
 C    4.9714180    1.5929294   -0.6675456  0.00   -0.0236908   -0.0181158    0.0225415
 C    5.3763785    2.9007195   -1.2789354  0.00    0.0151825   -0.0106474    0.0050194
 H    4.5235165    3.5637865   -1.4668535  0.00   -0.0125571   -0.0206227   -0.0052376
 H    5.8892500    2.7445410   -2.2429321  0.00    0.0071848   -0.0038866    0.0098114
 H    6.0765682    3.4499680   -0.6263562  0.00    0.0063049   -0.0190284   -0.0003303
 C    3.6550946    1.2599647   -0.3940794  0.00    0.0753970    0.1882578   -0.0768782
 H    3.4834945    0.2820113    0.0466205  0.00   -0.0331124   -0.1751777    0.0761156
 C    2.4705489    2.0590332   -0.6134630  0.00    0.0202259    0.0017425   -0.0066214
 H    2.6043598    3.0529296   -1.0467435  0.00   -0.0009091    0.0077922   -0.0098126
 C    1.1970354    1.6400401   -0.3088250  0.00   -0.0096211    0.0016791    0.0072114
 H    1.0728077    0.6350820    0.1139637  0.00   -0.0030232    0.0017499   -0.0004351
 C   -0.0275920    2.3967346   -0.4920393  0.00   -0.0038540   -0.0157031    0.0068500
 C    0.0612900    3.7741479   -1.0746343  0.00    0.0304932   -0.0430620    0.0013175
 H   -0.9147166    4.2613986   -1.1729799  0.00   -0.0217428    0.0044217   -0.0056253
 H    0.5209838    3.7437064   -2.0775654  0.00    0.0019051    0.0069840    0.0145089
 H    0.6959893    4.4299556   -0.4539325  0.00    0.0078578   -0.0174229   -0.0067071
 C   -1.2309332    1.7988890   -0.1204193  0.00   -0.0068360   -0.0066234    0.0066091
 H   -1.1929737    0.7856967    0.2951143  0.00   -0.0029426   -0.0024908    0.0017254
 C   -2.5276977    2.3621909   -0.2184673  0.00    0.0146825   -0.0167887    0.0163912
 H   -2.6661620    3.3737597   -0.6173247  0.00   -0.0035674   -0.0069400    0.0052853
 N   -3.6338065    1.7316756    0.1457891  0.00    0.0144288   -0.0139386    0.0310221
 H   -3.5292799    0.7537333    0.5072029  0.00    0.0059175    0.0039405    0.0051826
 C   -4.9748570    2.2844587    0.0840163  0.00    0.0007130   -0.0161782   -0.0440276
 H   -4.9506149    3.2013619   -0.5303716  0.00    0.0121181   -0.0187274    0.0277949
 H   -5.6158981    1.5602271   -0.4512883  0.00    0.0276704    0.0078763    0.0342734
 C   -5.5729704    2.5812343    1.4655079  0.00    0.0838285    0.0405899    0.0745438
 H   -5.5440093    1.6572056    2.0717159  0.00    0.0059744    0.0112755   -0.0230306
 H   -4.9089072    3.3057010    1.9854882  0.00   -0.0840390   -0.0614700   -0.0424208
 C   -7.0078340    3.1148357    1.4186416  0.00    0.0707489    0.0112557   -0.0586201
 H   -7.0342249    4.0319658    0.8022957  0.00    0.0018938   -0.0137671    0.0045463
 H   -7.6487469    2.3867671    0.8955555  0.00    0.0087943   -0.0185489   -0.0215143
 C   -7.6003945    3.4075465    2.7890961  0.00    0.0543776    0.0123210    0.0793465
 H   -8.6322768    3.7863574    2.7133148  0.00    0.0223162   -0.0352792   -0.0155416
 H   -7.6197648    2.5039546    3.4233413  0.00   -0.0190504    0.0210333   -0.0357294
 H   -7.0165973    4.1671402    3.3386703  0.00    0.0014161   -0.0181323   -0.0382150
 O   -5.7595456   -1.1472342   -0.9862990  0.00   -0.0169284   -0.0107980    0.0158504
 H   -4.9210335   -1.6877381   -0.6717844  0.00    0.0728941   -0.0264365    0.0147195
 C   -6.8765258   -1.6610268   -0.5584913  0.00    0.2980743   -0.1064913    0.0878605
 O   -7.0404530   -2.6236302    0.1430902  0.00   -0.0220390    0.0326286   -0.0337594
 C   -8.0579205   -0.8709593   -1.1019144  0.00   -1.0505836    0.0373198   -0.1312544
 F   -7.9524736    0.4473505   -0.9228199  0.00    0.1631220   -0.0267702    0.0243112
 F   -8.2413973   -1.0828983   -2.4130967  0.00    0.1915384   -0.0011734    0.1674058
 F   -9.2163200   -1.2441300   -0.4984966  0.00    0.4599408    0.0705871   -0.1135519
 O   -2.9592251   -0.7934301    1.0709648  0.00    0.0021484    0.1327206    0.0045727
 C   -2.8953655   -1.8850524    0.4935245  0.00    0.0147652   -0.0501608   -0.0724705
 O   -3.6746599   -2.4076699   -0.3285733  0.00   -0.0116319   -0.0036738    0.0414463
 C   -1.6155904   -2.7032646    0.8396078  0.00   -0.1651979    0.0350134   -0.0143522
 F   -1.5325757   -2.9289570    2.1522794  0.00    0.0104006   -0.0042816    0.0266161
 F   -1.5657514   -3.8846538    0.2265345  0.00    0.0021513   -0.0229639   -0.0157085
 F   -0.5205006   -2.0199697    0.4812912  0.00    0.0480101    0.0230761   -0.0129553
78
 Energy =   -2041.3822372608
 C    8.3335368   -1.5303905   -0.2967388  0.00    0.0165472    0.0070851    0.0261089
 C    9.4152051   -2.4661432    0.1694106  0.00   -0.1094805    0.0343584    0.0350746
 C   10.4782863   -1.8269373    1.0428679  0.00   -0.0304113    0.0645558    0.0125658
 C   10.9144180   -0.5114529    0.4182330  0.00   -0.0293268    0.0034651   -0.0118941
 C    9.7688629    0.5177411    0.2966208  0.00   -0.0547534   -0.0339664    0.0019829
 C   10.2331085    1.6085164   -0.6916923  0.00   -0.0303567   -0.0246196    0.0271248
 H    9.5794077    2.4936754   -0.6966374  0.00    0.0003186   -0.0268665    0.0028271
 H   10.2943729    1.2228439   -1.7214595  0.00   -0.0062733   -0.0031325    0.0066442
 H   11.2388560    1.9565237   -0.4050981  0.00   -0.0141591   -0.0208945    0.0044916
 C    9.5196300    1.1856749    1.6676301  0.00    0.0087148   -0.0030001   -0.0141396
 H    8.7062089    1.9252539    1.6138877  0.00   -0.0062486   -0.0181680   -0.0105090
 H   10.4285798    1.7167965    1.9961697  0.00   -0.0068560   -0.0124594   -0.0187180
 H    9.2594769    0.4594592    2.4531983  0.00   -0.0089607   -0.0138447   -0.0378038
 H   11.3182582   -0.7182969   -0.5900186  0.00   -0.0097481   -0.0040026    0.0038979
 H   11.7454193   -0.0543646    0.9868808  0.00   -0.0657506   -0.0139287   -0.0226289
 H   10.0821053   -1.6585882    2.0608163  0.00    0.0060420    0.0031765   -0.0363185
 H   11.3352850   -2.5078564    1.1553752  0.00    0.0061114   -0.0041593   -0.0018036
 H    8.9336193   -3.3286590    0.6764536  0.00    0.0291643    0.0590269   -0.0228897
 H    9.8751483   -2.9204633   -0.7314430  0.00    0.0052415    0.0079140   -0.0186601
 C    7.1692156   -2.2319553   -0.9308264  0.00    0.0240055    0.0515083   -0.0277595
 H    6.5922688   -1.5945432   -1.6139881  0.00    0.0162686    0.0195801    0.0179787
 H    6.4706907   -2.6337164   -0.1711280  0.00    0.0252647    0.0270317    0.0161562
 H    7.5185362   -3.1137284   -1.4959902  0.00    0.0294656    0.0221170    0.0203092
 C    8.4482806   -0.1449329   -0.1819565  0.00   -0.0386537    0.0036862   -0.0094175
 C    7.3681714    0.7810445   -0.5112789  0.00   -0.0352668   -0.0095677    0.0105448
 H    7.6954730    1.7636693   -0.8644510  0.00   -0.0068356   -0.0022551    0.0165854
 C    6.0084339    0.6165541   -0.3492889  0.00   -0.0047898   -0.0082130   -0.0028844
 H    5.6420472   -0.3167240    0.0945482  0.00    0.0092612    0.0216315   -0.0054112
 C    4.9730318    1.5935465   -0.6677878  0.00   -0.0012490   -0.0239134    0.0238287
 C    5.3783902    2.9025914   -1.2794637  0.00    0.0252235   -0.0173158    0.0133705
 H    4.5255383    3.5658505   -1.4671615  0.00   -0.0117174   -0.0212694   -0.0040899
 H    5.8914693    2.7468113   -2.2442843  0.00    0.0010179   -0.0041992    0.0211835
 H    6.0795933    3.4517934   -0.6260419  0.00   -0.0058211   -0.0277510   -0.0107245
 C    3.6566177    1.2605874   -0.3942566  0.00    0.0326309    0.0283485   -0.0132569
 H    3.4803726    0.2712716    0.0466430  0.00    0.0035835   -0.0031834    0.0040043
 C    2.4719084    2.0599925   -0.6137446  0.00    0.0079573   -0.0086178    0.0003813
 H    2.6066256    3.0541469   -1.0470641  0.00   -0.0044469    0.0026769   -0.0067075
 C    1.1975329    1.6403497   -0.3088089  0.00   -0.0040397    0.0088480    0.0025835
 H    1.0735905    0.6341796    0.1142517  0.00   -0.0020433    0.0209074   -0.0082000
 C   -0.0276539    2.3981231   -0.4924564  0.00   -0.0058596   -0.0178393    0.0035263
 C    0.0613715    3.7770253   -1.0754048  0.00    0.0066841   -0.0398618    0.0086003
 H   -0.9149813    4.2675356   -1.1739108  0.00    0.0002529   -0.0149696    0.0001550
 H    0.5210976    3.7505727   -2.0782794  0.00    0.0034558   -0.0023594    0.0130144
 H    0.6958544    4.4322852   -0.4541402  0.00    0.0098438   -0.0171809   -0.0029400
 C   -1.2314352    1.7995595   -0.1204316  0.00   -0.0046244   -0.0040136    0.0060643
 H   -1.1934382    0.7856699    0.2953125  0.00   -0.0022750    0.0091772   -0.0029047
 C   -2.5287122    2.3632237   -0.2185759  0.00    0.0041437   -0.0227443    0.0180856
 H   -2.6656085    3.3755504   -0.6177623  0.00   -0.0058692   -0.0177548    0.0096727
 N   -3.6359725    1.7325666    0.1450634  0.00    0.0170355    0.0046670    0.0180414
 H   -3.5323447    0.7547757    0.5066833  0.00    0.0063485    0.0046908    0.0045264
 C   -4.9784716    2.2853970    0.0817016  0.00    0.0173209   -0.0168839    0.0142156
 H   -4.9541042    3.2028001   -0.5306134  0.00    0.0124100   -0.0127005    0.0195359
 H   -5.6197960    1.5605420   -0.4515369  0.00    0.0264194    0.0041691    0.0301321
 C   -5.5759535    2.5821051    1.4669492  0.00    0.0268142   -0.0049407    0.0050247
 H   -5.5468104    1.6578946    2.0725137  0.00    0.0057943    0.0102161   -0.0234806
 H   -4.9219532    3.3069538    1.9863795  0.00   -0.0108622   -0.0126266   -0.0093308
 C   -7.0104109    3.1165713    1.4198024  0.00    0.0292143   -0.0059261   -0.0237153
 H   -7.0379385    4.0339556    0.8025446  0.00    0.0044098   -0.0207524    0.0185905
 H   -7.6521744    2.3880718    0.8959713  0.00    0.0154938   -0.0061899   -0.0096653
 C   -7.6038182    3.4089622    2.7954920  0.00    0.0378705    0.0195036   -0.0185787
 H   -8.6353800    3.7899192    2.7158573  0.00    0.0325658   -0.0325920   -0.0142279
 H   -7.6325132    2.5052753    3.4270865  0.00   -0.0000604    0.0096838   -0.0238391
 H   -7.0196937    4.1695990    3.3409414  0.00    0.0099074   -0.0174111   -0.0181722
 O   -5.7608609   -1.1494414   -0.9869779  0.00   -0.0295252   -0.0132395    0.0228932
 H   -4.9135878   -1.6884252   -0.6720929  0.00   -0.0063978   -0.0080351    0.0053896
 C   -6.8781751   -1.6617849   -0.5587299  0.00    0.0085118   -0.0035612   -0.0022641
 O   -7.0433100   -2.6245151    0.1429595  0.00   -0.0072118    0.0315968   -0.0244725
 C   -8.0982705   -0.8711356   -1.1064124  0.00    0.0696435   -0.0288004    0.0113336
 F   -7.9557225    0.4479962   -0.9239749  0.00    0.0115702   -0.0152234    0.0041341
 F   -8.2448049   -1.0830642   -2.4141325  0.00    0.0133663    0.0007368    0.0240438
 F   -9.2193659   -1.2442672   -0.4997670  0.00    0.0356152    0.0065730   -0.0064610
 O   -2.9631202   -0.7932579    1.0739266  0.00    0.0202432    0.0224213   -0.0538253
 C   -2.8965938   -1.8865453    0.4933141  0.00   -0.0193439    0.0417350   -0.0309604
 O   -3.6775059   -2.4088831   -0.3290978  0.00    0.0341066    0.0113484    0.0672062
 C   -1.6160865   -2.7042134    0.8399981  0.00   -0.0532712    0.0143178   -0.0094948
 F   -1.5273570   -2.9311444    2.1537531  0.00   -0.0159020    0.0100972   -0.0206638
 F   -1.5641172   -3.8876418    0.2265922  0.00   -0.0107204    0.0266883    0.0028848
 F   -0.5143628   -2.0214470    0.4819024  0.00   -0.0486002   -0.0125385   -0.0007912
78
 Energy =   -2041.3827772683
 C    8.3291153   -1.5291321   -0.2960417  0.00   -0.0578687    0.0162898    0.0105287
 C    9.4030495   -2.4630675    0.1697762  0.00    0.0367039    0.0518627    0.0027061
 C   10.4667737   -1.8237223    1.0421233  0.00    0.0246093    0.0221277    0.0089114
 C   10.9055956   -0.5109930    0.4190675  0.00   -0.0097263    0.0153569   -0.0123064
 C    9.7636015    0.5162194    0.2952772  0.00   -0.1086207   -0.0198621    0.0033890
 C   10.2257610    1.6070067   -0.6912084  0.00   -0.0200166   -0.0503742    0.0293546
 H    9.5746048    2.4917877   -0.6906725  0.00   -0.0101351   -0.0002302    0.0014887
 H   10.2799000    1.2217199   -1.7206533  0.00    0.0015250   -0.0012273   -0.0074088
 H   11.2333573    1.9463543   -0.4044336  0.00   -0.0017732   -0.0035947   -0.0039038
 C    9.5112895    1.1831490    1.6631907  0.00    0.0342082    0.0027944    0.0010133
 H    8.7016187    1.9244684    1.6103639  0.00   -0.0294027   -0.0060423   -0.0128435
 H   10.4211694    1.7120567    1.9871285  0.00    0.0133341    0.0062034   -0.0002322
 H    9.2547539    0.4593320    2.4506278  0.00   -0.0191609   -0.0257563   -0.0281784
 H   11.3056963   -0.7177838   -0.5891399  0.00    0.0073866   -0.0130366   -0.0142911
 H   11.7392017   -0.0543293    0.9863659  0.00   -0.0797236   -0.0223103   -0.0291755
 H   10.0712167   -1.6564084    2.0583458  0.00    0.0007208    0.0069667   -0.0053213
 H   11.3285454   -2.5023106    1.1520344  0.00   -0.0299009    0.0028989    0.0031390
 H    8.9306994   -3.3244524    0.6748897  0.00   -0.0211492   -0.0049612    0.0106214
 H    9.8687397   -2.9146904   -0.7313725  0.00   -0.0104003    0.0105319   -0.0055578
 C    7.1650507   -2.2298330   -0.9299471  0.00    0.0386188    0.0709421   -0.0327017
 H    6.5915154   -1.5884977   -1.6118665  0.00    0.0071638    0.0056657    0.0098358
 H    6.4687292   -2.6318445   -0.1708726  0.00    0.0027935    0.0227898    0.0326312
 H    7.5169820   -3.1120963   -1.4907349  0.00    0.0255980    0.0144544   -0.0001339
 C    8.4429828   -0.1448275   -0.1818805  0.00   -0.0201988    0.0038661   -0.0138944
 C    7.3638509    0.7799797   -0.5113460  0.00   -0.0195440    0.0069957    0.0055284
 H    7.6913262    1.7625795   -0.8631278  0.00   -0.0055069    0.0041320    0.0120385
 C    6.0055750    0.6161609   -0.3492445  0.00   -0.0270578   -0.0186159    0.0034148
 H    5.6391358   -0.3165257    0.0944894  0.00    0.0057225    0.0134458   -0.0015153
 C    4.9707491    1.5926334   -0.6673424  0.00    0.0173605   -0.0014340    0.0155198
 C    5.3761558    2.9004702   -1.2788119  0.00    0.0246300   -0.0206588    0.0110151
 H    4.5231574    3.5618595   -1.4666980  0.00   -0.0219573   -0.0084843   -0.0078663
 H    5.8888975    2.7440373   -2.2426085  0.00    0.0086606   -0.0041322    0.0072177
 H    6.0763567    3.4495315   -0.6260368  0.00    0.0049469   -0.0177009   -0.0012301
 C    3.6553281    1.2629706   -0.3941138  0.00    0.0221730   -0.0185146    0.0020761
 H    3.4806801    0.2737408    0.0466793  0.00   -0.0027092   -0.0102995    0.0084777
 C    2.4706152    2.0590488   -0.6135546  0.00    0.0073496    0.0191915   -0.0077133
 H    2.6045029    3.0526828   -1.0467213  0.00   -0.0033512    0.0141244   -0.0120508
 C    1.1969161    1.6401837   -0.3087777  0.00   -0.0050527    0.0090011    0.0025176
 H    1.0725109    0.6362502    0.1136966  0.00   -0.0028027   -0.0147020    0.0067496
 C   -0.0277046    2.3962577   -0.4919366  0.00   -0.0004891   -0.0179492    0.0017277
 C    0.0614614    3.7724660   -1.0746058  0.00    0.0059384   -0.0065794    0.0094620
 H   -0.9148640    4.2622315   -1.1731317  0.00   -0.0032098   -0.0085807   -0.0015646
 H    0.5209475    3.7456755   -2.0766289  0.00    0.0087277   -0.0016296   -0.0005955
 H    0.6963241    4.4283454   -0.4539585  0.00    0.0068496   -0.0179261   -0.0046417
 C   -1.2308702    1.7987567   -0.1203689  0.00   -0.0067717   -0.0100718    0.0089172
 H   -1.1931070    0.7859963    0.2950299  0.00   -0.0013461   -0.0097971    0.0050554
 C   -2.5275128    2.3615568   -0.2179878  0.00    0.0157807   -0.0089718    0.0139868
 H   -2.6659027    3.3729408   -0.6169343  0.00   -0.0040650   -0.0046090    0.0040392
 N   -3.6332841    1.7316988    0.1471604  0.00    0.0137383   -0.0012103    0.0122456
 H   -3.5289014    0.7541774    0.5069072  0.00    0.0048811   -0.0111507    0.0129500
 C   -4.9741605    2.2842605    0.0826408  0.00    0.0181119   -0.0126063    0.0092492
 H   -4.9504988    3.2005325   -0.5300998  0.00    0.0160504   -0.0011026    0.0143264
 H   -5.6143610    1.5608737   -0.4508175  0.00    0.0105860   -0.0130375    0.0209136
 C   -5.5704857    2.5807671    1.4658606  0.00   -0.0067880    0.0005126    0.0114706
 H   -5.5429298    1.6572527    2.0713800  0.00    0.0080748    0.0012185   -0.0177882
 H   -4.9165434    3.3045966    1.9851654  0.00   -0.0066914   -0.0032094   -0.0029561
 C   -7.0060650    3.1152625    1.4183805  0.00    0.0603484   -0.0294190   -0.0375430
 H   -7.0330526    4.0316047    0.8025375  0.00    0.0036314   -0.0011948   -0.0003784
 H   -7.6481294    2.3863204    0.8951285  0.00    0.0199028   -0.0036378   -0.0101243
 C   -7.5974096    3.4073979    2.7915807  0.00   -0.0079844    0.0180830   -0.0144017
 H   -8.6303635    3.7861256    2.7100443  0.00    0.0422830   -0.0337679   -0.0062162
 H   -7.6250198    2.5039711    3.4211556  0.00   -0.0042740   -0.0078321   -0.0072283
 H   -7.0160250    4.1666044    3.3381096  0.00    0.0258166    0.0059783   -0.0071103
 O   -5.7609628   -1.1486408   -0.9855915  0.00    0.0610088    0.0031720    0.0011174
 H   -4.9154079   -1.6880048   -0.6717358  0.00    0.0080601   -0.0056182    0.0051703
 C   -6.8751917   -1.6611656   -0.5583302  0.00    0.0211374   -0.0174133    0.0158189
 O   -7.0400847   -2.6230828    0.1428074  0.00   -0.0141142   -0.0171702    0.0083096
 C   -8.0853324   -0.8711044   -1.1048474  0.00   -0.0256644   -0.0123675    0.0049482
 F   -7.9402624    0.4468414   -0.9219474  0.00    0.0104102    0.0038493    0.0056789
 F   -8.2315961   -1.0829316   -2.4117767  0.00    0.0124729    0.0007732   -0.0005866
 F   -9.2080811   -1.2425973   -0.4993293  0.00    0.0251799    0.0138337   -0.0060807
 O   -2.9587661   -0.7919203    1.0706563  0.00    0.0073322    0.0843816   -0.0198740
 C   -2.8950040   -1.8851844    0.4929644  0.00    0.0105105    0.0284865   -0.0240602
 O   -3.6740475   -2.4076871   -0.3275272  0.00   -0.0350487   -0.0162185    0.0112171
 C   -1.6183046   -2.7019867    0.8391890  0.00   -0.0430408    0.0144944   -0.0063693
 F   -1.5298812   -2.9284268    2.1518055  0.00   -0.0116268    0.0021681    0.0137301
 F   -1.5660829   -3.8842934    0.2262926  0.00   -0.0090879   -0.0025193   -0.0109092
 F   -0.5181583   -2.0191212    0.4810936  0.00   -0.0161939    0.0008863   -0.0085469
78
 Energy =   -2041.3831601612
 C    8.3234256   -1.5266407   -0.2944809  0.00   -0.0246160    0.0099366    0.0080724
 C    9.3995525   -2.4566148    0.1702971  0.00   -0.0336541   -0.0260752    0.0201543
 C   10.4596925   -1.8188112    1.0420535  0.00    0.0244112   -0.0002265    0.0154120
 C   10.8962850   -0.5100110    0.4185799  0.00    0.0660251    0.0150723   -0.0159476
 C    9.7566824    0.5122930    0.2942812  0.00   -0.1059618    0.0149373   -0.0087628
 C   10.2184293    1.6022734   -0.6896729  0.00    0.0324139   -0.0309983    0.0076586
 H    9.5723858    2.4901238   -0.6823044  0.00   -0.0126433    0.0074675   -0.0034066
 H   10.2686029    1.2204113   -1.7214337  0.00   -0.0022428    0.0042605    0.0035135
 H   11.2311526    1.9339602   -0.4042849  0.00   -0.0322506   -0.0047739   -0.0152845
 C    9.5083375    1.1797823    1.6590700  0.00   -0.0323292    0.0497257   -0.0125681
 H    8.6989854    1.9241534    1.6001951  0.00   -0.0058524   -0.0294743    0.0042014
 H   10.4177428    1.7081136    1.9774020  0.00    0.0411932    0.0216320    0.0185700
 H    9.2501679    0.4589461    2.4462291  0.00   -0.0252761   -0.0381769   -0.0035989
 H   11.2978201   -0.7181480   -0.5888675  0.00    0.0065585   -0.0148531   -0.0157007
 H   11.7324426   -0.0546434    0.9857108  0.00   -0.0977763   -0.0205720   -0.0403189
 H   10.0620922   -1.6529352    2.0560468  0.00   -0.0014675    0.0128488    0.0193704
 H   11.3204454   -2.4961034    1.1508024  0.00   -0.0093750   -0.0148031    0.0122269
 H    8.9246573   -3.3213690    0.6747658  0.00    0.0077638    0.0304858   -0.0118898
 H    9.8627405   -2.9056552   -0.7318529  0.00    0.0028389   -0.0012972   -0.0177615
 C    7.1639520   -2.2254783   -0.9308143  0.00    0.0683567   -0.0107543    0.0030946
 H    6.5954116   -1.5817749   -1.6087292  0.00   -0.0306342    0.0210673   -0.0369676
 H    6.4698112   -2.6285405   -0.1701048  0.00   -0.0071305    0.0229526    0.0236353
 H    7.5230347   -3.1111087   -1.4858273  0.00   -0.0022306    0.0462511   -0.0006652
 C    8.4383689   -0.1446489   -0.1833388  0.00   -0.0320479    0.0211765    0.0034773
 C    7.3603014    0.7798513   -0.5110981  0.00   -0.0009273    0.0040368    0.0040199
 H    7.6880220    1.7621539   -0.8595961  0.00   -0.0021384    0.0228605    0.0021382
 C    6.0035230    0.6151610   -0.3492698  0.00   -0.0329434   -0.0097833    0.0047309
 H    5.6379651   -0.3162460    0.0944621  0.00   -0.0041387   -0.0063432    0.0056182
 C    4.9711782    1.5922068   -0.6667108  0.00    0.0002261   -0.0193005    0.0205320
 C    5.3763613    2.8969271   -1.2783492  0.00    0.0229589    0.0106891   -0.0022770
 H    4.5213299    3.5559375   -1.4679782  0.00   -0.0100197   -0.0070672   -0.0080785
 H    5.8905417    2.7393251   -2.2409809  0.00    0.0088301   -0.0025347    0.0031011
 H    6.0758312    3.4470838   -0.6258816  0.00    0.0037533   -0.0131077   -0.0003633
 C    3.6559550    1.2636390   -0.3940397  0.00   -0.0083261    0.0000921   -0.0020515
 H    3.4812059    0.2753470    0.0468775  0.00   -0.0075631   -0.0211642    0.0134858
 C    2.4703990    2.0603991   -0.6142850  0.00    0.0106233   -0.0069855    0.0043000
 H    2.6021514    3.0533082   -1.0477265  0.00    0.0038170    0.0255565   -0.0172765
 C    1.1965140    1.6412071   -0.3088080  0.00    0.0144188   -0.0301668    0.0130660
 H    1.0709682    0.6368081    0.1136590  0.00    0.0065150   -0.0083048    0.0045733
 C   -0.0278339    2.3938975   -0.4912986  0.00   -0.0006543   -0.0037596   -0.0031582
 C    0.0618346    3.7681964   -1.0733933  0.00    0.0000768   -0.0011552   -0.0259197
 H   -0.9153238    4.2555225   -1.1729797  0.00   -0.0013725    0.0025549   -0.0012922
 H    0.5219929    3.7400206   -2.0759788  0.00    0.0018344    0.0007987    0.0094926
 H    0.6977848    4.4220959   -0.4539948  0.00    0.0119902   -0.0006689    0.0059608
 C   -1.2308239    1.7979261   -0.1200857  0.00    0.0017844   -0.0320836    0.0168930
 H   -1.1935766    0.7851519    0.2952045  0.00   -0.0013805   -0.0106559    0.0061873
 C   -2.5266104    2.3601360   -0.2165289  0.00    0.0262560    0.0118829    0.0069755
 H   -2.6684235    3.3705946   -0.6157237  0.00    0.0034605    0.0028035    0.0007055
 N   -3.6302523    1.7312649    0.1514118  0.00    0.0107637   -0.0201903    0.0124292
 H   -3.5250208    0.7528009    0.5089713  0.00    0.0031921   -0.0152494    0.0160723
 C   -4.9686202    2.2835741    0.0844313  0.00   -0.0087327   -0.0187505    0.0020816
 H   -4.9443829    3.1987304   -0.5290566  0.00    0.0155745    0.0069062    0.0104940
 H   -5.6084756    1.5598656   -0.4490738  0.00    0.0087019   -0.0117147    0.0198009
 C   -5.5668698    2.5803219    1.4658041  0.00    0.0020377   -0.0165168   -0.0025942
 H   -5.5377116    1.6570747    2.0703933  0.00    0.0035635   -0.0074846   -0.0092899
 H   -4.9134927    3.3028493    1.9843928  0.00    0.0045297    0.0152522    0.0104373
 C   -7.0003578    3.1136263    1.4155977  0.00    0.0303449   -0.0433846   -0.0303190
 H   -7.0262657    4.0302161    0.8028553  0.00    0.0025244    0.0137360   -0.0232170
 H   -7.6449685    2.3843467    0.8932290  0.00    0.0378849    0.0113008   -0.0069719
 C   -7.5936356    3.4072393    2.7866740  0.00    0.0088397   -0.0229926   -0.0087711
 H   -8.6259611    3.7793965    2.7015858  0.00    0.0076093   -0.0070344   -0.0053170
 H   -7.6231997    2.5026633    3.4142592  0.00    0.0009516   -0.0088210    0.0004533
 H   -7.0139387    4.1651527    3.3349351  0.00    0.0277739    0.0181777   -0.0011685
 O   -5.7579806   -1.1476058   -0.9842932  0.00    0.0222562   -0.0158422    0.0101523
 H   -4.9171492   -1.6885537   -0.6714791  0.00    0.0336208   -0.0120463    0.0107649
 C   -6.8737338   -1.6614951   -0.5578060  0.00    0.1084229   -0.0225270    0.0277623
 O   -7.0409095   -2.6229757    0.1429154  0.00   -0.0009283   -0.0330778    0.0153496
 C   -8.0743369   -0.8721026   -1.1025603  0.00   -0.0326264    0.0650606   -0.0281342
 F   -7.9214673    0.4469372   -0.9174153  0.00   -0.0091781   -0.0243947   -0.0065211
 F   -8.2158029   -1.0829869   -2.4101679  0.00   -0.0038061    0.0094412   -0.0035394
 F   -9.1962323   -1.2389372   -0.4991419  0.00   -0.0296469    0.0088389    0.0045741
 O   -2.9529200   -0.7845882    1.0650962  0.00    0.0030230    0.0004540   -0.0584059
 C   -2.8933440   -1.8836897    0.4920992  0.00   -0.0801655    0.1064914   -0.0355068
 O   -3.6749618   -2.4095137   -0.3253661  0.00   -0.0145614    0.0124593    0.0429915
 C   -1.6256350   -2.6991998    0.8381323  0.00    0.0378774   -0.0343726    0.0198624
 F   -1.5387228   -2.9258024    2.1522786  0.00   -0.0069296    0.0027199   -0.0181517
 F   -1.5739860   -3.8826289    0.2244723  0.00   -0.0077778    0.0232030    0.0099403
 F   -0.5246894   -2.0169189    0.4794174  0.00   -0.0184324   -0.0138771    0.0019883
78
 Energy =   -2041.3833834484
 C    8.3201890   -1.5248116   -0.2933155  0.00   -0.0161295    0.0024058    0.0006431
 C    9.3946780   -2.4538431    0.1707430  0.00    0.0357362   -0.0246045    0.0177321
 C   10.4580565   -1.8162726    1.0425016  0.00   -0.0367474   -0.0141330    0.0097808
 C   10.8930743   -0.5092648    0.4175170  0.00    0.0522624   -0.0031253   -0.0218607
 C    9.7514002    0.5106365    0.2936248  0.00   -0.0608330    0.0236160   -0.0101026
 C   10.2153772    1.5989322   -0.6888595  0.00    0.0293359    0.0071766   -0.0035972
 H    9.5714521    2.4893141   -0.6794735  0.00   -0.0037238   -0.0007328   -0.0042102
 H   10.2636124    1.2207007   -1.7215665  0.00   -0.0040647   -0.0031377   -0.0028854
 H   11.2298845    1.9277689   -0.4053292  0.00   -0.0382574   -0.0055000   -0.0130458
 C    9.5056096    1.1792471    1.6571229  0.00    0.0174152    0.0674353    0.0086246
 H    8.6977470    1.9234673    1.5957322  0.00   -0.0174178   -0.0162424    0.0105529
 H   10.4184892    1.7081439    1.9769516  0.00   -0.0078723   -0.0062201   -0.0004614
 H    9.2465483    0.4585258    2.4435959  0.00   -0.0278149   -0.0379235    0.0041169
 H   11.2961287   -0.7187845   -0.5891501  0.00    0.0030605   -0.0117108   -0.0155244
 H   11.7270284   -0.0549246    0.9851390  0.00   -0.0771580   -0.0019605   -0.0301034
 H   10.0575915   -1.6499993    2.0555373  0.00    0.0048355    0.0161169    0.0189254
 H   11.3158406   -2.4944552    1.1534798  0.00    0.0105337   -0.0287833    0.0106477
 H    8.9221935   -3.3185667    0.6742484  0.00   -0.0029272    0.0130863   -0.0027837
 H    9.8601426   -2.9014376   -0.7325265  0.00   -0.0089622    0.0031739   -0.0038733
 C    7.1646459   -2.2232464   -0.9314990  0.00    0.0381441   -0.0337569    0.0059388
 H    6.5959048   -1.5782117   -1.6081508  0.00   -0.0296838    0.0122093   -0.0418366
 H    6.4703240   -2.6257897   -0.1695749  0.00   -0.0044214    0.0227722    0.0120539
 H    7.5264032   -3.1103591   -1.4840150  0.00   -0.0134338    0.0593936   -0.0001245
 C    8.4350037   -0.1442639   -0.1840785  0.00   -0.0269084    0.0309860    0.0160593
 C    7.3583481    0.7798870   -0.5106454  0.00   -0.0015145    0.0134754   -0.0032011
 H    7.6862875    1.7624998   -0.8575734  0.00   -0.0025966    0.0250841    0.0004920
 C    6.0020947    0.6145121   -0.3492473  0.00   -0.0288124   -0.0039285    0.0049284
 H    5.6374055   -0.3161745    0.0945097  0.00   -0.0107555   -0.0190381    0.0101846
 C    4.9714674    1.5916530   -0.6661504  0.00   -0.0046279   -0.0164530    0.0172733
 C    5.3769494    2.8956883   -1.2781971  0.00    0.0249813   -0.0011459   -0.0095070
 H    4.5203833    3.5515448   -1.4692788  0.00   -0.0091522    0.0034965   -0.0098878
 H    5.8926120    2.7363164   -2.2400240  0.00    0.0052579    0.0003904    0.0053329
 H    6.0760514    3.4454818   -0.6257542  0.00    0.0040798   -0.0054997    0.0029921
 C    3.6562187    1.2640041   -0.3940378  0.00   -0.0295040   -0.0219693    0.0091942
 H    3.4799222    0.2742831    0.0470927  0.00   -0.0019332    0.0031855    0.0032160
 C    2.4706308    2.0609259   -0.6145093  0.00    0.0086986    0.0029702    0.0000582
 H    2.6014298    3.0547519   -1.0489646  0.00    0.0034313    0.0075680   -0.0088657
 C    1.1965817    1.6411404   -0.3086271  0.00    0.0206660   -0.0432265    0.0157833
 H    1.0708202    0.6362074    0.1138972  0.00    0.0109512   -0.0006004    0.0019150
 C   -0.0279482    2.3924977   -0.4910003  0.00    0.0033273    0.0006966   -0.0075337
 C    0.0620681    3.7664265   -1.0736560  0.00   -0.0081490   -0.0070975   -0.0068203
 H   -0.9155554    4.2523822   -1.1730619  0.00   -0.0006893    0.0091951   -0.0023323
 H    0.5226251    3.7376575   -2.0745744  0.00    0.0079646    0.0005815   -0.0108050
 H    0.6989869    4.4187208   -0.4539943  0.00    0.0097808    0.0057965    0.0078591
 C   -1.2307599    1.7967552   -0.1197154  0.00    0.0097993   -0.0328865    0.0176541
 H   -1.1940694    0.7839267    0.2955335  0.00   -0.0009789   -0.0098015    0.0062974
 C   -2.5258865    2.3596130   -0.2154741  0.00    0.0314994    0.0172063    0.0038740
 H   -2.6691199    3.3697813   -0.6151260  0.00    0.0071476    0.0021881    0.0009181
 N   -3.6281799    1.7309481    0.1541526  0.00   -0.0014703   -0.0303818    0.0153359
 H   -3.5228698    0.7515289    0.5110187  0.00    0.0041389   -0.0103409    0.0132570
 C   -4.9659458    2.2831357    0.0854646  0.00   -0.0107846   -0.0249216   -0.0050824
 H   -4.9396233    3.1981636   -0.5282647  0.00    0.0097968    0.0054321    0.0107390
 H   -5.6053044    1.5583559   -0.4477198  0.00    0.0102921   -0.0062223    0.0179583
 C   -5.5655019    2.5795100    1.4656795  0.00    0.0369477   -0.0066219    0.0004346
 H   -5.5344701    1.6567790    2.0698202  0.00    0.0001637   -0.0156732   -0.0026076
 H   -4.9114710    3.3027475    1.9842230  0.00   -0.0047737    0.0078356    0.0066753
 C   -6.9965961    3.1118472    1.4135675  0.00    0.0024210   -0.0183213   -0.0179588
 H   -7.0216287    4.0297285    0.8023128  0.00    0.0022091    0.0076881   -0.0267001
 H   -7.6423860    2.3836445    0.8918024  0.00    0.0382864    0.0083596   -0.0127043
 C   -7.5922926    3.4069282    2.7837720  0.00    0.0476067   -0.0396703    0.0017901
 H   -8.6235920    3.7754466    2.6965559  0.00   -0.0209349    0.0094640   -0.0065717
 H   -7.6220482    2.5017598    3.4110877  0.00    0.0025041   -0.0038918    0.0004379
 H   -7.0128137    4.1654308    3.3333810  0.00    0.0164835    0.0086070   -0.0097756
 O   -5.7550741   -1.1483821   -0.9831734  0.00    0.0167028   -0.0136609    0.0079492
 H   -4.9142536   -1.6892477   -0.6712827  0.00    0.0367917   -0.0170082    0.0147827
 C   -6.8709174   -1.6620530   -0.5572754  0.00    0.0771578   -0.0186244    0.0250598
 O   -7.0412957   -2.6233982    0.1431002  0.00    0.0130714   -0.0323604    0.0142082
 C   -8.0716736   -0.8709881   -1.1031130  0.00    0.0437386    0.0246450    0.0070497
 F   -7.9145788    0.4450651   -0.9166431  0.00   -0.0147356    0.0300817   -0.0055914
 F   -8.2084979   -1.0820432   -2.4094180  0.00   -0.0273519    0.0059910   -0.0409775
 F   -9.1919102   -1.2361844   -0.4990243  0.00   -0.0664775    0.0001238    0.0057564
 O   -2.9496626   -0.7807462    1.0588388  0.00   -0.0133820    0.0314108   -0.0383550
 C   -2.8955783   -1.8819072    0.4912012  0.00   -0.0060436    0.0858448   -0.0172737
 O   -3.6763497   -2.4096609   -0.3230135  0.00   -0.0602279   -0.0063384    0.0068068
 C   -1.6274651   -2.6991877    0.8382313  0.00   -0.0476089    0.0149990    0.0089459
 F   -1.5447594   -2.9241764    2.1515322  0.00    0.0121725   -0.0093140    0.0143109
 F   -1.5797984   -3.8797808    0.2242211  0.00    0.0062488   -0.0297788   -0.0063027
 F   -0.5294811   -2.0173705    0.4787926  0.00    0.0311368    0.0017061   -0.0004342
78
 Energy =   -2041.3837203063
 C    8.3158187   -1.5223007   -0.2915946  0.00    0.0204718   -0.0190905   -0.0024041
 C    9.3934194   -2.4508551    0.1714881  0.00   -0.0357140   -0.0171197    0.0147557
 C   10.4530731   -1.8139788    1.0430943  0.00    0.0118617   -0.0292521    0.0254655
 C   10.8885133   -0.5085018    0.4148878  0.00   -0.0013149   -0.0329193   -0.0141900
 C    9.7429438    0.5097577    0.2921982  0.00    0.0125979    0.0256730    0.0042398
 C   10.2108575    1.5956297   -0.6883555  0.00    0.0036316    0.0246291   -0.0248801
 H    9.5694259    2.4875527   -0.6780052  0.00   -0.0009937    0.0078837   -0.0023118
 H   10.2548031    1.2203561   -1.7215290  0.00   -0.0021732   -0.0121042   -0.0149625
 H   11.2265670    1.9189611   -0.4077221  0.00   -0.0236867    0.0037786   -0.0049518
 C    9.5019796    1.1803725    1.6556800  0.00    0.0553174    0.0344755    0.0237359
 H    8.6952015    1.9221350    1.5937333  0.00   -0.0412085    0.0174174    0.0113660
 H   10.4182595    1.7077336    1.9764929  0.00   -0.0433341   -0.0247982   -0.0123642
 H    9.2392950    0.4576986    2.4398638  0.00   -0.0198144   -0.0273588    0.0062680
 H   11.2940547   -0.7199057   -0.5899112  0.00   -0.0005588   -0.0081801   -0.0224045
 H   11.7172859   -0.0552243    0.9841145  0.00   -0.0347198    0.0263281   -0.0087505
 H   10.0526233   -1.6441635    2.0555279  0.00   -0.0017690    0.0164310    0.0168607
 H   11.3096382   -2.4959234    1.1603623  0.00   -0.0071712   -0.0028905    0.0006698
 H    8.9174791   -3.3142117    0.6735070  0.00    0.0036966    0.0039400   -0.0005481
 H    9.8548848   -2.8954804   -0.7333515  0.00    0.0082003   -0.0090413   -0.0161510
 C    7.1648515   -2.2209185   -0.9321589  0.00   -0.0116153   -0.0160090   -0.0080680
 H    6.5940187   -1.5735141   -1.6087654  0.00   -0.0060770   -0.0178698   -0.0229467
 H    6.4704346   -2.6208322   -0.1688248  0.00   -0.0088224    0.0151394    0.0064915
 H    7.5280916   -3.1085482   -1.4819808  0.00   -0.0171982    0.0561016   -0.0069976
 C    8.4287407   -0.1431544   -0.1838070  0.00   -0.0067803    0.0338174    0.0249833
 C    7.3548582    0.7804622   -0.5101416  0.00   -0.0067483    0.0279520   -0.0101029
 H    7.6832495    1.7635474   -0.8552977  0.00   -0.0042051    0.0242475   -0.0005072
 C    5.9994691    0.6138140   -0.3491815  0.00   -0.0278743   -0.0040890    0.0085926
 H    5.6358488   -0.3163109    0.0947078  0.00   -0.0156183   -0.0305136    0.0140136
 C    4.9708581    1.5903747   -0.6651287  0.00   -0.0129045   -0.0039497    0.0062769
 C    5.3776588    2.8941970   -1.2780974  0.00    0.0103291   -0.0218041   -0.0057785
 H    4.5187193    3.5459434   -1.4716180  0.00   -0.0022001    0.0145486   -0.0099865
 H    5.8951150    2.7328589   -2.2382882  0.00    0.0052556    0.0009515    0.0004860
 H    6.0761319    3.4430549   -0.6250532  0.00    0.0028086    0.0045683    0.0066295
 C    3.6553656    1.2630676   -0.3939055  0.00   -0.0359658   -0.0159415    0.0110372
 H    3.4774129    0.2731531    0.0473798  0.00    0.0009699    0.0111671   -0.0006074
 C    2.4708761    2.0614346   -0.6146645  0.00    0.0010557    0.0087222   -0.0048525
 H    2.6009103    3.0564247   -1.0507500  0.00    0.0014203   -0.0189097    0.0039068
 C    1.1970561    1.6396634   -0.3080804  0.00    0.0241174   -0.0213845    0.0049687
 H    1.0720155    0.6352397    0.1143055  0.00    0.0120234   -0.0092233    0.0058595
 C   -0.0280127    2.3903128   -0.4907487  0.00    0.0120956   -0.0068798   -0.0090358
 C    0.0621478    3.7638897   -1.0743706  0.00   -0.0067145   -0.0071801    0.0177205
 H   -0.9156739    4.2495214   -1.1732986  0.00    0.0026564    0.0126437   -0.0034041
 H    0.5237455    3.7348646   -2.0737177  0.00    0.0107614   -0.0005205   -0.0264293
 H    0.7008537    4.4145386   -0.4538901  0.00    0.0005028    0.0058145    0.0031149
 C   -1.2302477    1.7941237   -0.1189568  0.00    0.0171569   -0.0169674    0.0135064
 H   -1.1947483    0.7815115    0.2961877  0.00    0.0019180   -0.0121784    0.0074747
 C   -2.5242816    2.3590241   -0.2138254  0.00    0.0350644    0.0086983    0.0050589
 H   -2.6678763    3.3689561   -0.6144041  0.00    0.0080845   -0.0012850    0.0025153
 N   -3.6249415    1.7301197    0.1584819  0.00   -0.0076888   -0.0319621    0.0083578
 H   -3.5193787    0.7494525    0.5144534  0.00    0.0029784    0.0032538    0.0059358
 C   -4.9621314    2.2821481    0.0864744  0.00    0.0046559   -0.0317022   -0.0075857
 H   -4.9322627    3.1973626   -0.5269209  0.00    0.0004537    0.0019484    0.0089777
 H   -5.6002218    1.5556854   -0.4455338  0.00    0.0066632   -0.0023089    0.0101883
 C   -5.5613724    2.5776332    1.4649875  0.00    0.0436473    0.0150171    0.0107647
 H   -5.5297621    1.6555607    2.0689095  0.00   -0.0005596   -0.0235255    0.0042711
 H   -4.9087825    3.3030065    1.9840200  0.00   -0.0092242   -0.0030885    0.0018328
 C   -6.9910068    3.1094753    1.4105237  0.00   -0.0014481    0.0092117   -0.0047087
 H   -7.0138061    4.0287855    0.8003653  0.00   -0.0002158   -0.0018099   -0.0257848
 H   -7.6369619    2.3826975    0.8890164  0.00    0.0310569   -0.0006022   -0.0218259
 C   -7.5881046    3.4053680    2.7799370  0.00    0.0483642   -0.0306404    0.0038198
 H   -8.6201547    3.7710243    2.6887393  0.00   -0.0195699    0.0116631   -0.0000921
 H   -7.6174619    2.5002359    3.4070987  0.00    0.0019457   -0.0041682    0.0039696
 H   -7.0105396    4.1661082    3.3306228  0.00    0.0066974   -0.0036739   -0.0197641
 O   -5.7499194   -1.1509344   -0.9811423  0.00    0.0395494    0.0097966   -0.0087376
 H   -4.9046903   -1.6906738   -0.6708344  0.00    0.0213167   -0.0228128    0.0203765
 C   -6.8649229   -1.6630261   -0.5562104  0.00    0.0277471   -0.0075759    0.0170554
 O   -7.0385339   -2.6241603    0.1434381  0.00    0.0139718   -0.0408693    0.0209517
 C   -8.0658465   -0.8684871   -1.1037780  0.00   -0.0075532   -0.0305312    0.0403696
 F   -7.9101015    0.4453827   -0.9178512  0.00   -0.0002503    0.0670061    0.0011426
 F   -8.2046484   -1.0798347   -2.4094320  0.00   -0.0220473    0.0004407   -0.0464642
 F   -9.1903133   -1.2324116   -0.4987394  0.00   -0.0100938    0.0080795   -0.0180218
 O   -2.9482998   -0.7751835    1.0478001  0.00   -0.0152479    0.0981752    0.0139530
 C   -2.8985896   -1.8783309    0.4897773  0.00    0.0197196    0.0101554   -0.0413932
 O   -3.6810996   -2.4097471   -0.3197343  0.00   -0.0678936   -0.0208840   -0.0105666
 C   -1.6320568   -2.6977267    0.8386156  0.00   -0.0153051   -0.0174932   -0.0063047
 F   -1.5466360   -2.9241547    2.1511721  0.00   -0.0017100   -0.0031547    0.0185101
 F   -1.5825632   -3.8791055    0.2236034  0.00   -0.0123379   -0.0132122    0.0030414
 F   -0.5332614   -2.0183203    0.4782154  0.00    0.0334906    0.0178739   -0.0008921
78
 Energy =   -2041.3840574081
 C    8.3110494   -1.5205186   -0.2894082  0.00   -0.0300817    0.0282130   -0.0261460
 C    9.3842415   -2.4475538    0.1726160  0.00    0.0615507   -0.0123912   -0.0092605
 C   10.4456877   -1.8132589    1.0446611  0.00   -0.0198702    0.0057489    0.0180338
 C   10.8792978   -0.5085303    0.4106730  0.00   -0.0338324   -0.0602466    0.0153512
 C    9.7314846    0.5104963    0.2905196  0.00    0.0776626    0.0055547    0.0291622
 C   10.2028613    1.5930125   -0.6889156  0.00   -0.0161686    0.0029185   -0.0615469
 H    9.5650491    2.4853274   -0.6774154  0.00   -0.0121129    0.0372709   -0.0021193
 H   10.2401040    1.2164455   -1.7223813  0.00    0.0031840   -0.0064660   -0.0100114
 H   11.2197347    1.9088665   -0.4110565  0.00   -0.0002301    0.0174734   -0.0009180
 C    9.4990144    1.1823191    1.6552500  0.00   -0.0489784   -0.0456490    0.0035375
 H    8.6899709    1.9209071    1.5958961  0.00   -0.0392747    0.0385025    0.0062724
 H   10.4132403    1.7043959    1.9723023  0.00    0.0193375    0.0105822    0.0194480
 H    9.2270347    0.4563191    2.4349662  0.00    0.0070670   -0.0094679    0.0047826
 H   11.2888754   -0.7214263   -0.5913527  0.00   -0.0055371   -0.0057696   -0.0349578
 H   11.7021400   -0.0552688    0.9825868  0.00    0.0089625    0.0500591    0.0075252
 H   10.0443295   -1.6343219    2.0559886  0.00   -0.0025177    0.0062830    0.0060344
 H   11.2984083   -2.4978200    1.1690943  0.00    0.0041404   -0.0016921   -0.0089099
 H    8.9108972   -3.3079965    0.6723482  0.00   -0.0285082   -0.0539458    0.0252926
 H    9.8479589   -2.8903760   -0.7347170  0.00   -0.0063341   -0.0020689    0.0123516
 C    7.1624946   -2.2181392   -0.9328488  0.00   -0.0489329    0.0226917   -0.0181291
 H    6.5903929   -1.5689480   -1.6102181  0.00    0.0155454   -0.0407283   -0.0037451
 H    6.4683735   -2.6134228   -0.1677702  0.00   -0.0202357    0.0019059    0.0066062
 H    7.5257799   -3.1050310   -1.4804605  0.00   -0.0141641    0.0348576   -0.0193551
 C    8.4191264   -0.1409698   -0.1812215  0.00    0.0222482    0.0186137    0.0140997
 C    7.3488662    0.7829101   -0.5101748  0.00   -0.0215025   -0.0014560    0.0027115
 H    7.6775403    1.7653566   -0.8529750  0.00   -0.0005314    0.0400119   -0.0078295
 C    5.9944171    0.6129452   -0.3487839  0.00   -0.0149052   -0.0005350    0.0095116
 H    5.6323627   -0.3168323    0.0951496  0.00   -0.0179245   -0.0420084    0.0179589
 C    4.9682092    1.5883721   -0.6636512  0.00   -0.0273135    0.0038920   -0.0069483
 C    5.3776969    2.8908068   -1.2778779  0.00   -0.0307047    0.0045125    0.0042901
 H    4.5158572    3.5414322   -1.4752223  0.00    0.0344492   -0.0000604   -0.0025829
 H    5.8977528    2.7288556   -2.2357455  0.00    0.0079869   -0.0035592   -0.0093225
 H    6.0753034    3.4397990   -0.6231265  0.00   -0.0079842    0.0053762    0.0015962
 C    3.6524627    1.2608659   -0.3935394  0.00   -0.0232727    0.0260828   -0.0007409
 H    3.4736672    0.2726085    0.0477145  0.00   -0.0030868   -0.0077333    0.0071391
 C    2.4705913    2.0619555   -0.6149376  0.00   -0.0057851   -0.0158126    0.0008465
 H    2.6002296    3.0564478   -1.0523827  0.00    0.0014619   -0.0220479    0.0067600
 C    1.1980447    1.6368614   -0.3072985  0.00    0.0167175    0.0137488   -0.0108958
 H    1.0751865    0.6331645    0.1150923  0.00    0.0099178   -0.0211974    0.0111641
 C   -0.0276209    2.3867461   -0.4906685  0.00    0.0179030   -0.0225046   -0.0031527
 C    0.0620222    3.7598484   -1.0744872  0.00    0.0159034    0.0062776   -0.0148208
 H   -0.9154578    4.2476972   -1.1737925  0.00    0.0139458    0.0054278   -0.0015845
 H    0.5256511    3.7306492   -2.0759141  0.00   -0.0097519    0.0003826    0.0122103
 H    0.7029612    4.4092344   -0.4536433  0.00   -0.0086682    0.0024924   -0.0043041
 C   -1.2288704    1.7899546   -0.1177460  0.00    0.0271143   -0.0035225    0.0105070
 H   -1.1948397    0.7772156    0.2973102  0.00    0.0050784   -0.0083541    0.0063357
 C   -2.5210513    2.3580110   -0.2114415  0.00    0.0226051   -0.0195412    0.0142886
 H   -2.6634757    3.3674983   -0.6133316  0.00    0.0043402   -0.0025457    0.0035749
 N   -3.6203845    1.7284100    0.1643054  0.00    0.0206037   -0.0039258   -0.0210346
 H   -3.5139910    0.7470534    0.5189805  0.00   -0.0008775    0.0068703    0.0012876
 C   -4.9556031    2.2800796    0.0871816  0.00    0.0180339   -0.0285831    0.0020430
 H   -4.9227069    3.1958849   -0.5249331  0.00   -0.0068244   -0.0013573    0.0019796
 H   -5.5922689    1.5518920   -0.4425091  0.00   -0.0043768   -0.0029943   -0.0022818
 C   -5.5524224    2.5753256    1.4639267  0.00   -0.0182846    0.0090035    0.0133326
 H   -5.5229802    1.6525666    2.0675165  0.00    0.0028025   -0.0157633    0.0046245
 H   -4.9056401    3.3028294    1.9835059  0.00    0.0162429    0.0062421    0.0122508
 C   -6.9827925    3.1070306    1.4064656  0.00    0.0264647    0.0112693   -0.0034164
 H   -7.0029969    4.0268095    0.7962896  0.00   -0.0031389   -0.0061898   -0.0218244
 H   -7.6273073    2.3808834    0.8838166  0.00    0.0239783   -0.0069833   -0.0254539
 C   -7.5790619    3.4019775    2.7749958  0.00   -0.0275714   -0.0020223   -0.0076304
 H   -8.6146974    3.7662425    2.6792352  0.00    0.0274768   -0.0066767    0.0141384
 H   -7.6081179    2.4975978    3.4025168  0.00    0.0020734   -0.0078975    0.0083498
 H   -7.0062568    4.1661304    3.3250678  0.00    0.0133420   -0.0023703   -0.0163219
 O   -5.7403620   -1.1529865   -0.9791268  0.00    0.0173622    0.0189936   -0.0141634
 H   -4.8881445   -1.6932709   -0.6699227  0.00   -0.0146401   -0.0226319    0.0245555
 C   -6.8554896   -1.6641349   -0.5545358  0.00    0.0010710    0.0358289   -0.0098998
 O   -7.0310090   -2.6255292    0.1442062  0.00    0.0058530   -0.0456626    0.0246010
 C   -8.0610394   -0.8659750   -1.1019439  0.00    0.0279666    0.0171270   -0.0129600
 F   -7.9030410    0.4527149   -0.9194479  0.00   -0.0070625   -0.0248838   -0.0001105
 F   -8.2033831   -1.0766817   -2.4105168  0.00   -0.0023158    0.0054632    0.0173612
 F   -9.1868532   -1.2263746   -0.4988066  0.00    0.0058911    0.0086255   -0.0050321
 O   -2.9496694   -0.7642091    1.0350957  0.00    0.0093757    0.0225972    0.0057868
 C   -2.9012363   -1.8733396    0.4871438  0.00   -0.0385978    0.0089741   -0.0558020
 O   -3.6903014   -2.4108762   -0.3159841  0.00    0.0159054    0.0010157    0.0378426
 C   -1.6368858   -2.6968277    0.8386529  0.00    0.0328692   -0.0009040   -0.0082971
 F   -1.5481898   -2.9243546    2.1513555  0.00   -0.0188777    0.0092917   -0.0039108
 F   -1.5903596   -3.8784925    0.2235287  0.00   -0.0133445    0.0087714    0.0072489
 F   -0.5349842   -2.0175833    0.4775639  0.00   -0.0118754   -0.0111995    0.0070862
78
 Energy =   -2041.3842403116
 C    8.3077873   -1.5187688   -0.2892681  0.00   -0.0279452    0.0023476   -0.0224769
 C    9.3820580   -2.4469866    0.1729652  0.00   -0.0142942   -0.0286872   -0.0041606
 C   10.4392949   -1.8128598    1.0457186  0.00    0.0241553   -0.0002377    0.0138920
 C   10.8721607   -0.5097712    0.4095622  0.00    0.0134534   -0.0317813    0.0340426
 C    9.7278302    0.5112013    0.2911645  0.00    0.0431125   -0.0006953    0.0062537
 C   10.1975618    1.5926287   -0.6907052  0.00    0.0018149   -0.0052401   -0.0430661
 H    9.5615955    2.4856929   -0.6780239  0.00   -0.0186904    0.0405271   -0.0047221
 H   10.2325856    1.2130796   -1.7231736  0.00    0.0056695   -0.0007153   -0.0092090
 H   11.2150795    1.9077993   -0.4121072  0.00   -0.0059886    0.0148198   -0.0105070
 C    9.4939653    1.1810649    1.6546609  0.00   -0.0233241   -0.0148619    0.0185731
 H    8.6861947    1.9212978    1.5994264  0.00   -0.0408163    0.0376533   -0.0033631
 H   10.4092158    1.7023822    1.9726372  0.00    0.0102703    0.0052863    0.0197665
 H    9.2214474    0.4556493    2.4332397  0.00    0.0051572   -0.0229796    0.0166082
 H   11.2829013   -0.7218454   -0.5922034  0.00   -0.0091587   -0.0082378   -0.0341700
 H   11.6953158   -0.0548180    0.9819755  0.00    0.0007535    0.0381099   -0.0028860
 H   10.0385471   -1.6298032    2.0559027  0.00   -0.0077559   -0.0019373    0.0133106
 H   11.2932442   -2.4978970    1.1696664  0.00   -0.0094578    0.0133621   -0.0033311
 H    8.9048276   -3.3075667    0.6728760  0.00   -0.0126184   -0.0345203    0.0110209
 H    9.8434612   -2.8890968   -0.7348620  0.00    0.0044690   -0.0077895    0.0077176
 C    7.1586245   -2.2167673   -0.9329140  0.00   -0.0209256    0.0173788   -0.0038627
 H    6.5891192   -1.5689110   -1.6107199  0.00   -0.0036967   -0.0200941   -0.0188734
 H    6.4647495   -2.6104557   -0.1673381  0.00   -0.0242102   -0.0020124    0.0072747
 H    7.5213626   -3.1028706   -1.4816111  0.00   -0.0111585    0.0284307   -0.0155138
 C    8.4151080   -0.1398269   -0.1789852  0.00    0.0151840    0.0267057   -0.0056536
 C    7.3449700    0.7839296   -0.5102910  0.00   -0.0037278   -0.0054988    0.0104484
 H    7.6740507    1.7664987   -0.8530810  0.00   -0.0036771    0.0352690   -0.0067058
 C    5.9912840    0.6126420   -0.3483208  0.00   -0.0236005   -0.0023379    0.0101866
 H    5.6296685   -0.3173539    0.0954759  0.00   -0.0169870   -0.0418597    0.0186470
 C    4.9653419    1.5874907   -0.6631423  0.00   -0.0087453    0.0175036   -0.0141721
 C    5.3760588    2.8892054   -1.2775590  0.00   -0.0191198    0.0109159   -0.0033240
 H    4.5146015    3.5400853   -1.4764034  0.00    0.0370442   -0.0005156   -0.0036497
 H    5.8985437    2.7261360   -2.2349409  0.00   -0.0006256   -0.0004413    0.0021958
 H    6.0734913    3.4384476   -0.6218706  0.00   -0.0143623    0.0019019   -0.0034188
 C    3.6500711    1.2618719   -0.3933449  0.00   -0.0186867   -0.0256855    0.0169451
 H    3.4713870    0.2722588    0.0478747  0.00   -0.0013599    0.0092760    0.0010452
 C    2.4697778    2.0610421   -0.6148593  0.00   -0.0036810    0.0009522   -0.0048934
 H    2.5997954    3.0545314   -1.0522900  0.00    0.0003719   -0.0074420    0.0006586
 C    1.1984991    1.6357683   -0.3071792  0.00   -0.0020503   -0.0053274   -0.0027995
 H    1.0773718    0.6315226    0.1156399  0.00    0.0073349   -0.0133247    0.0085401
 C   -0.0269559    2.3845913   -0.4907025  0.00    0.0151584   -0.0155466   -0.0042977
 C    0.0622206    3.7575956   -1.0746961  0.00    0.0138451    0.0194846   -0.0079042
 H   -0.9148350    4.2474377   -1.1739162  0.00    0.0191600   -0.0025933   -0.0006408
 H    0.5257259    3.7287411   -2.0758558  0.00   -0.0074168    0.0000830    0.0081110
 H    0.7031865    4.4073008   -0.4534801  0.00   -0.0104770   -0.0018678   -0.0083154
 C   -1.2276216    1.7880414   -0.1171516  0.00    0.0295554   -0.0098168    0.0138453
 H   -1.1937397    0.7751051    0.2978488  0.00    0.0045639   -0.0049421    0.0054289
 C   -2.5190002    2.3569806   -0.2103069  0.00    0.0313933   -0.0209867    0.0100095
 H   -2.6602857    3.3661027   -0.6126018  0.00    0.0014809    0.0021833    0.0022478
 N   -3.6175899    1.7273644    0.1651579  0.00    0.0158743    0.0041147   -0.0231878
 H   -3.5115042    0.7465247    0.5203526  0.00    0.0013725   -0.0040241    0.0024742
 C   -4.9516287    2.2786015    0.0872848  0.00    0.0087410   -0.0177262    0.0073897
 H   -4.9197222    3.1946855   -0.5241453  0.00   -0.0046455   -0.0006087   -0.0027128
 H   -5.5884035    1.5504863   -0.4414814  0.00   -0.0088393   -0.0068085   -0.0061441
 C   -5.5479903    2.5746840    1.4637192  0.00   -0.0304608   -0.0058381    0.0137886
 H   -5.5194953    1.6505264    2.0667809  0.00    0.0026225   -0.0014283    0.0010011
 H   -4.9018150    3.3022419    1.9831067  0.00    0.0211186    0.0081216    0.0159212
 C   -6.9785499    3.1065633    1.4048527  0.00    0.0280288   -0.0136620   -0.0163052
 H   -6.9991697    4.0252438    0.7937454  0.00   -0.0013559    0.0012574   -0.0216424
 H   -7.6216916    2.3793842    0.8804704  0.00    0.0281051   -0.0001258   -0.0173680
 C   -7.5743085    3.3999579    2.7726269  0.00   -0.0632381   -0.0036172   -0.0034510
 H   -8.6111685    3.7642742    2.6783923  0.00    0.0412997   -0.0147172    0.0133316
 H   -7.6022854    2.4959285    3.4013700  0.00    0.0031290   -0.0034556    0.0028178
 H   -7.0034145    4.1648581    3.3210268  0.00    0.0263693    0.0106926   -0.0037415
 O   -5.7362366   -1.1518433   -0.9789959  0.00    0.0195188    0.0031050   -0.0050538
 H   -4.8829395   -1.6948055   -0.6692632  0.00   -0.0270309   -0.0117145    0.0206954
 C   -6.8509574   -1.6637758   -0.5539595  0.00    0.0109739    0.0195297    0.0008173
 O   -7.0258347   -2.6263391    0.1448226  0.00    0.0065004   -0.0137873    0.0013388
 C   -8.0553625   -0.8646781   -1.1011464  0.00   -0.0366861    0.0244996   -0.0305591
 F   -7.8999602    0.4545937   -0.9199933  0.00    0.0089932   -0.0330826    0.0028544
 F   -8.2023438   -1.0750406   -2.4101999  0.00    0.0191749    0.0027460    0.0317863
 F   -9.1833904   -1.2235322   -0.4988479  0.00    0.0250077    0.0043761    0.0015160
 O   -2.9488057   -0.7593261    1.0314868  0.00    0.0053008   -0.0318005   -0.0192812
 C   -2.9030390   -1.8712556    0.4853747  0.00    0.0405818    0.0573497    0.0124535
 O   -3.6920147   -2.4108688   -0.3136537  0.00   -0.0197615   -0.0162954    0.0039928
 C   -1.6359967   -2.6968561    0.8382728  0.00   -0.0698554    0.0729804   -0.0135566
 F   -1.5528015   -2.9223294    2.1507415  0.00    0.0031928    0.0010724    0.0145159
 F   -1.5976611   -3.8766604    0.2241929  0.00    0.0188524   -0.0284283   -0.0110252
 F   -0.5355233   -2.0169102    0.4775538  0.00    0.0059588   -0.0275937    0.0067474
78
 Energy =   -2041.3845033468
 C    8.3016492   -1.5162050   -0.2895797  0.00   -0.0482592   -0.0158902   -0.0176540
 C    9.3721027   -2.4476297    0.1735878  0.00    0.0265733   -0.0141221   -0.0038940
 C   10.4294506   -1.8120445    1.0480012  0.00    0.0184432   -0.0284836   -0.0110261
 C   10.8616395   -0.5122895    0.4091546  0.00    0.0552580    0.0167916    0.0261465
 C    9.7224640    0.5122359    0.2923029  0.00   -0.0154626   -0.0000089   -0.0214541
 C   10.1891946    1.5920858   -0.6945384  0.00    0.0183463    0.0027418   -0.0028564
 H    9.5555730    2.4878656   -0.6820993  0.00   -0.0184934    0.0217621   -0.0065879
 H   10.2222666    1.2076509   -1.7249487  0.00    0.0084480    0.0042542   -0.0121129
 H   11.2069179    1.9087570   -0.4149599  0.00   -0.0125239    0.0073252   -0.0230626
 C    9.4849919    1.1792711    1.6549277  0.00    0.0298703    0.0417481    0.0286788
 H    8.6794731    1.9228592    1.6042961  0.00   -0.0379801    0.0294562   -0.0141980
 H   10.4022558    1.6989991    1.9767123  0.00   -0.0139557   -0.0072164    0.0122021
 H    9.2122620    0.4543186    2.4312069  0.00   -0.0041575   -0.0458212    0.0360218
 H   11.2713391   -0.7227058   -0.5941219  0.00   -0.0110319   -0.0120360   -0.0213129
 H   11.6838890   -0.0537713    0.9809279  0.00    0.0065263    0.0241089   -0.0087957
 H   10.0275212   -1.6228240    2.0560753  0.00   -0.0067177   -0.0149560    0.0214636
 H   11.2846318   -2.4969892    1.1705652  0.00   -0.0225006    0.0209185    0.0069665
 H    8.8948802   -3.3077805    0.6737329  0.00   -0.0174082   -0.0355255    0.0078136
 H    9.8367616   -2.8887634   -0.7349804  0.00   -0.0078381   -0.0020660    0.0290215
 C    7.1517782   -2.2144437   -0.9328893  0.00   -0.0062343    0.0067312    0.0050113
 H    6.5856233   -1.5696427   -1.6126711  0.00   -0.0289617    0.0111338   -0.0346858
 H    6.4567132   -2.6056155   -0.1666238  0.00   -0.0191763   -0.0044461   -0.0007009
 H    7.5127114   -3.0990261   -1.4850329  0.00   -0.0057754    0.0203373   -0.0019573
 C    8.4087169   -0.1374863   -0.1757890  0.00    0.0085592    0.0173692   -0.0341163
 C    7.3383954    0.7853443   -0.5099036  0.00    0.0166496    0.0087944    0.0130333
 H    7.6675333    1.7690547   -0.8538280  0.00   -0.0123224    0.0122622    0.0020311
 C    5.9853582    0.6120930   -0.3472648  0.00   -0.0198886   -0.0050831    0.0097625
 H    5.6247913   -0.3185436    0.0961801  0.00   -0.0166319   -0.0391827    0.0192977
 C    4.9603597    1.5863618   -0.6624802  0.00    0.0047052    0.0240130   -0.0182863
 C    5.3728993    2.8871256   -1.2770786  0.00    0.0032015    0.0010733   -0.0158027
 H    4.5130730    3.5377336   -1.4786091  0.00    0.0257439    0.0093143   -0.0081863
 H    5.8992772    2.7217339   -2.2333462  0.00   -0.0123347    0.0048062    0.0177429
 H    6.0694486    3.4362189   -0.6200971  0.00   -0.0165575    0.0022531   -0.0045658
 C    3.6456310    1.2615874   -0.3928700  0.00    0.0051300   -0.0401769    0.0192218
 H    3.4673730    0.2727695    0.0481396  0.00   -0.0045339   -0.0038951    0.0073979
 C    2.4683427    2.0595438   -0.6149296  0.00    0.0003549    0.0065209   -0.0067024
 H    2.5991088    3.0511376   -1.0521446  0.00    0.0002987    0.0197425   -0.0111764
 C    1.1991282    1.6334019   -0.3069260  0.00   -0.0231036   -0.0258155    0.0053321
 H    1.0817867    0.6284394    0.1167367  0.00    0.0002708   -0.0029223    0.0048164
 C   -0.0254998    2.3807845   -0.4909463  0.00    0.0085305    0.0013603   -0.0056395
 C    0.0628020    3.7545296   -1.0752246  0.00    0.0082662    0.0163661    0.0167664
 H   -0.9131376    4.2465690   -1.1741449  0.00    0.0151697   -0.0091736   -0.0002380
 H    0.5254790    3.7257982   -2.0750812  0.00    0.0039445    0.0002358   -0.0128782
 H    0.7030603    4.4041326   -0.4532593  0.00   -0.0067002   -0.0026256   -0.0093456
 C   -1.2250042    1.7844503   -0.1159380  0.00    0.0313122   -0.0128035    0.0164499
 H   -1.1912289    0.7714779    0.2988797  0.00    0.0047957   -0.0035770    0.0049956
 C   -2.5149537    2.3548792   -0.2082780  0.00    0.0500964   -0.0082074   -0.0058387
 H   -2.6546603    3.3638210   -0.6112041  0.00   -0.0001300    0.0043006    0.0023370
 N   -3.6125310    1.7256153    0.1651005  0.00   -0.0070585   -0.0084975   -0.0064519
 H   -3.5071202    0.7454236    0.5226954  0.00    0.0029687   -0.0042385   -0.0051720
 C   -4.9451052    2.2759403    0.0876568  0.00   -0.0126970   -0.0016937    0.0080185
 H   -4.9152489    3.1925668   -0.5229107  0.00   -0.0014671   -0.0012759   -0.0076978
 H   -5.5825718    1.5478168   -0.4399368  0.00   -0.0098963   -0.0083339   -0.0083662
 C   -5.5415835    2.5733370    1.4639587  0.00   -0.0057680   -0.0097702    0.0158960
 H   -5.5134966    1.6471907    2.0655406  0.00    0.0001451    0.0150512    0.0010829
 H   -4.8932151    3.3014159    1.9826410  0.00    0.0063671   -0.0069860    0.0109674
 C   -6.9710482    3.1051826    1.4018187  0.00    0.0056581   -0.0284436   -0.0254193
 H   -6.9929124    4.0225964    0.7887506  0.00    0.0037082    0.0047137   -0.0148651
 H   -7.6113002    2.3769620    0.8741816  0.00    0.0291447    0.0034771   -0.0082472
 C   -7.5688420    3.3964635    2.7688212  0.00   -0.0361241   -0.0085638    0.0059629
 H   -8.6045644    3.7603187    2.6794854  0.00    0.0153968   -0.0136139    0.0021644
 H   -7.5914003    2.4931497    3.3995163  0.00   -0.0000792    0.0012377   -0.0038980
 H   -6.9984154    4.1630628    3.3140298  0.00    0.0330439    0.0170581    0.0068796
 O   -5.7292753   -1.1503194   -0.9787050  0.00    0.0189749   -0.0022318   -0.0021655
 H   -4.8772422   -1.6976504   -0.6680007  0.00   -0.0257301   -0.0021257    0.0187385
 C   -6.8427744   -1.6629449   -0.5529953  0.00   -0.0241815   -0.0095611    0.0128941
 O   -7.0163427   -2.6276226    0.1457215  0.00    0.0090081    0.0386128   -0.0338393
 C   -8.0483358   -0.8618228   -1.1016528  0.00   -0.0139999   -0.0208313    0.0110691
 F   -7.8918651    0.4551085   -0.9201944  0.00    0.0188349    0.0121486    0.0063663
 F   -8.1965697   -1.0721188   -2.4087522  0.00    0.0202112   -0.0049879   -0.0062738
 F   -9.1761649   -1.2188216   -0.4988322  0.00    0.0071982   -0.0070942    0.0132348
 O   -2.9467934   -0.7530845    1.0238311  0.00    0.0054566   -0.0314203   -0.0113481
 C   -2.9038148   -1.8670430    0.4828284  0.00    0.0291056    0.0355123    0.0061360
 O   -3.6958933   -2.4119318   -0.3098366  0.00   -0.0071914   -0.0117738    0.0058776
 C   -1.6397030   -2.6929186    0.8372103  0.00   -0.0126414   -0.0051260   -0.0074697
 F   -1.5577432   -2.9191211    2.1507206  0.00   -0.0063994    0.0115285   -0.0083553
 F   -1.6010068   -3.8769868    0.2243280  0.00    0.0067695    0.0296637    0.0120034
 F   -0.5354138   -2.0180528    0.4778902  0.00   -0.0122516   -0.0244353    0.0071026
78
 Energy =   -2041.3847152831
 C    8.2948079   -1.5150459   -0.2903808  0.00   -0.0248540    0.0019131   -0.0004485
 C    9.3645333   -2.4491248    0.1741387  0.00    0.0034925   -0.0126539    0.0069150
 C   10.4208945   -1.8127497    1.0495687  0.00   -0.0083410    0.0012183   -0.0004394
 C   10.8547993   -0.5142201    0.4100726  0.00    0.0274612    0.0392410   -0.0136820
 C    9.7179421    0.5131522    0.2921603  0.00   -0.0429099    0.0128653   -0.0065350
 C   10.1825810    1.5925075   -0.6981865  0.00    0.0170634    0.0020569    0.0084440
 H    9.5501436    2.4905725   -0.6896755  0.00   -0.0158395   -0.0009823   -0.0032990
 H   10.2172334    1.2037690   -1.7273282  0.00    0.0056821    0.0081875   -0.0065394
 H   11.1994084    1.9114601   -0.4197632  0.00   -0.0018634    0.0062969   -0.0205201
 C    9.4788148    1.1797729    1.6572145  0.00   -0.0044663    0.0318752   -0.0070537
 H    8.6731442    1.9252763    1.6048355  0.00   -0.0182518    0.0124406   -0.0093596
 H   10.3947956    1.6951139    1.9827668  0.00    0.0132407    0.0121512    0.0169574
 H    9.2040020    0.4527756    2.4310094  0.00   -0.0087440   -0.0431606    0.0332958
 H   11.2591322   -0.7237965   -0.5962468  0.00   -0.0012631   -0.0150940   -0.0055050
 H   11.6744849   -0.0525177    0.9799995  0.00    0.0337890    0.0203356    0.0002044
 H   10.0164837   -1.6184986    2.0568927  0.00    0.0017238   -0.0270912    0.0072558
 H   11.2760166   -2.4943232    1.1734854  0.00   -0.0034863   -0.0035643    0.0155191
 H    8.8844895   -3.3100305    0.6747622  0.00   -0.0016243   -0.0102133   -0.0076291
 H    9.8301080   -2.8891342   -0.7342706  0.00   -0.0075114   -0.0063039    0.0292177
 C    7.1450297   -2.2124669   -0.9327056  0.00   -0.0320213    0.0121517   -0.0147795
 H    6.5794990   -1.5697955   -1.6161064  0.00   -0.0251456    0.0151604   -0.0199366
 H    6.4479988   -2.6015469   -0.1661139  0.00   -0.0101052   -0.0053907   -0.0112593
 H    7.5040612   -3.0954379   -1.4881220  0.00   -0.0005431    0.0089093    0.0087583
 C    8.4033982   -0.1350912   -0.1750707  0.00    0.0051789   -0.0193251   -0.0407825
 C    7.3328850    0.7870328   -0.5087949  0.00    0.0107639    0.0134781    0.0099834
 H    7.6598977    1.7716310   -0.8542501  0.00   -0.0124743    0.0009185    0.0083355
 C    5.9797542    0.6115723   -0.3460382  0.00   -0.0023139   -0.0056388    0.0080813
 H    5.6200456   -0.3200091    0.0970233  0.00   -0.0151884   -0.0312093    0.0173001
 C    4.9559054    1.5858407   -0.6621668  0.00    0.0055635    0.0043708   -0.0119762
 C    5.3700543    2.8853999   -1.2768924  0.00   -0.0112370    0.0060282   -0.0076522
 H    4.5123268    3.5372974   -1.4812726  0.00    0.0175535    0.0102020   -0.0075924
 H    5.8976235    2.7197177   -2.2309853  0.00   -0.0014417   -0.0000716    0.0011842
 H    6.0645924    3.4344226   -0.6189506  0.00   -0.0077887    0.0074321    0.0021091
 C    3.6417328    1.2593348   -0.3922974  0.00    0.0240001    0.0000857    0.0022477
 H    3.4628246    0.2727399    0.0484448  0.00   -0.0061669   -0.0331899    0.0197370
 C    2.4670739    2.0582138   -0.6152248  0.00    0.0016844   -0.0006801   -0.0046011
 H    2.5986102    3.0490527   -1.0525035  0.00   -0.0007621    0.0272053   -0.0147724
 C    1.1992959    1.6303397   -0.3065636  0.00   -0.0208295   -0.0101241   -0.0022429
 H    1.0858648    0.6258738    0.1178211  0.00   -0.0092918   -0.0096227    0.0073491
 C   -0.0239538    2.3775242   -0.4913993  0.00    0.0054732    0.0098118   -0.0006717
 C    0.0635230    3.7524247   -1.0749998  0.00    0.0210628   -0.0120543   -0.0033160
 H   -0.9109808    4.2445531   -1.1743621  0.00   -0.0047456   -0.0044598    0.0001305
 H    0.5254772    3.7234795   -2.0760500  0.00    0.0019166    0.0020651    0.0002427
 H    0.7025196    4.4013848   -0.4531512  0.00    0.0065393    0.0066529   -0.0010428
 C   -1.2219668    1.7808619   -0.1145735  0.00    0.0285147   -0.0063135    0.0134789
 H   -1.1880425    0.7681920    0.2999552  0.00    0.0045497   -0.0077046    0.0062984
 C   -2.5103383    2.3527936   -0.2067504  0.00    0.0327274   -0.0009471   -0.0126628
 H   -2.6494626    3.3620233   -0.6097176  0.00    0.0022382    0.0012091    0.0033801
 N   -3.6084309    1.7239660    0.1645505  0.00   -0.0056973   -0.0120512    0.0031269
 H   -3.5028779    0.7444480    0.5241855  0.00    0.0014224   -0.0043730   -0.0120396
 C   -4.9403600    2.2735682    0.0882740  0.00   -0.0191371    0.0021871    0.0009419
 H   -4.9118459    3.1903607   -0.5220040  0.00   -0.0005442   -0.0006379   -0.0102254
 H   -5.5784189    1.5450590   -0.4388767  0.00   -0.0063834   -0.0039847   -0.0045886
 C   -5.5356070    2.5717326    1.4648577  0.00    0.0054432    0.0004725    0.0043141
 H   -5.5084387    1.6448114    2.0644953  0.00    0.0000510    0.0136983    0.0104827
 H   -4.8849592    3.3001414    1.9824150  0.00   -0.0076007   -0.0184874    0.0077101
 C   -6.9645896    3.1032482    1.3986411  0.00   -0.0006381   -0.0144217   -0.0121538
 H   -6.9855144    4.0202170    0.7837577  0.00    0.0041737    0.0001377   -0.0035201
 H   -7.6009930    2.3749183    0.8680650  0.00    0.0185659   -0.0053285   -0.0085755
 C   -7.5651846    3.3931672    2.7659078  0.00    0.0299307    0.0028246   -0.0011363
 H   -8.5985736    3.7562044    2.6806914  0.00   -0.0280188   -0.0058190   -0.0084313
 H   -7.5814979    2.4908950    3.3971540  0.00   -0.0053226   -0.0064069    0.0008269
 H   -6.9937194    4.1621557    3.3082013  0.00    0.0262039    0.0075098    0.0061245
 O   -5.7230786   -1.1494046   -0.9784118  0.00   -0.0101951    0.0093855   -0.0096842
 H   -4.8757162   -1.7003062   -0.6666940  0.00   -0.0001803   -0.0042460    0.0220674
 C   -6.8362068   -1.6623203   -0.5520211  0.00   -0.0186587    0.0041916   -0.0021959
 O   -7.0064060   -2.6277751    0.1458423  0.00   -0.0080641    0.0285460   -0.0240520
 C   -8.0414001   -0.8600810   -1.1010207  0.00    0.0120013   -0.0199518    0.0287881
 F   -7.8797447    0.4570141   -0.9188123  0.00    0.0027741   -0.0023386    0.0033898
 F   -8.1878234   -1.0700646   -2.4077173  0.00    0.0122425   -0.0028261   -0.0139682
 F   -9.1696039   -1.2155965   -0.4985213  0.00    0.0047873    0.0001985    0.0110373
 O   -2.9439707   -0.7492875    1.0162045  0.00    0.0012791    0.0462916    0.0284011
 C   -2.9037393   -1.8629181    0.4805736  0.00    0.0147483   -0.0590994   -0.0365768
 O   -3.6990348   -2.4132434   -0.3058868  0.00    0.0034942   -0.0080356    0.0076948
 C   -1.6431043   -2.6903619    0.8360053  0.00    0.0043887    0.0066823    0.0056296
 F   -1.5643727   -2.9135405    2.1494748  0.00   -0.0100951    0.0030708    0.0226576
 F   -1.6021148   -3.8729900    0.2258970  0.00   -0.0127837   -0.0240051   -0.0101664
 F   -0.5365266   -2.0214181    0.4788018  0.00    0.0196589    0.0180299   -0.0037815
78
 Energy =   -2041.3848730286
 C    8.2893062   -1.5141824   -0.2909059  0.00   -0.0089877   -0.0002327    0.0006589
 C    9.3588259   -2.4505938    0.1746243  0.00   -0.0132258   -0.0020203    0.0120975
 C   10.4143604   -1.8130773    1.0505247  0.00   -0.0026490    0.0136440    0.0068309
 C   10.8510516   -0.5146240    0.4101608  0.00   -0.0139950    0.0419720   -0.0183697
 C    9.7140806    0.5144855    0.2916247  0.00   -0.0303384    0.0127771    0.0014125
 C   10.1785641    1.5931571   -0.7005504  0.00    0.0075059    0.0067523    0.0022326
 H    9.5462906    2.4921950   -0.6963970  0.00   -0.0146829   -0.0135004    0.0006641
 H   10.2165866    1.2032107   -1.7293393  0.00   -0.0013545    0.0046152   -0.0031609
 H   11.1942879    1.9148872   -0.4250694  0.00    0.0130043    0.0071334   -0.0070715
 C    9.4738249    1.1812977    1.6583464  0.00    0.0029959    0.0039964    0.0039729
 H    8.6686130    1.9273900    1.6022099  0.00   -0.0130540    0.0095663    0.0007950
 H   10.3904614    1.6934815    1.9911809  0.00   -0.0023277    0.0086588   -0.0023201
 H    9.1978978    0.4513791    2.4322050  0.00   -0.0103308   -0.0174778    0.0043242
 H   11.2503559   -0.7249967   -0.5978202  0.00    0.0100039   -0.0164456   -0.0019006
 H   11.6694404   -0.0514246    0.9794088  0.00    0.0462573    0.0166934    0.0018286
 H   10.0091142   -1.6187378    2.0576510  0.00   -0.0010993   -0.0213674    0.0035382
 H   11.2697865   -2.4927341    1.1796337  0.00   -0.0004361   -0.0126073    0.0073858
 H    8.8774026   -3.3122785    0.6747588  0.00    0.0051053    0.0047329   -0.0119067
 H    9.8247307   -2.8906976   -0.7329410  0.00   -0.0045418   -0.0077928    0.0224222
 C    7.1390236   -2.2108455   -0.9330374  0.00   -0.0523394    0.0291757   -0.0253882
 H    6.5729614   -1.5688743   -1.6192427  0.00   -0.0107116    0.0045202    0.0007171
 H    6.4411493   -2.5990892   -0.1659222  0.00   -0.0040716   -0.0040596   -0.0194291
 H    7.4980121   -3.0929195   -1.4887643  0.00    0.0016817   -0.0023195    0.0079710
 C    8.3999670   -0.1338365   -0.1772744  0.00    0.0047899   -0.0236468   -0.0208232
 C    7.3293256    0.7887661   -0.5074097  0.00   -0.0080464   -0.0060676    0.0042635
 H    7.6528334    1.7734018   -0.8535742  0.00   -0.0021185    0.0110518    0.0074604
 C    5.9760267    0.6111210   -0.3449550  0.00    0.0075355   -0.0053163    0.0070720
 H    5.6164236   -0.3213214    0.0977888  0.00   -0.0118994   -0.0208685    0.0130191
 C    4.9529321    1.5855510   -0.6621359  0.00    0.0153343   -0.0070585   -0.0055186
 C    5.3677947    2.8847140   -1.2768795  0.00   -0.0244250    0.0084554   -0.0006632
 H    4.5122184    3.5386400   -1.4837384  0.00    0.0122564    0.0052160   -0.0051819
 H    5.8959683    2.7184635   -2.2292340  0.00    0.0092808   -0.0030749   -0.0133408
 H    6.0605642    3.4335182   -0.6180868  0.00    0.0016939    0.0122382    0.0078468
 C    3.6396476    1.2581640   -0.3918904  0.00    0.0078722   -0.0292406    0.0125893
 H    3.4583608    0.2693827    0.0488349  0.00    0.0060391    0.0025821    0.0050925
 C    2.4662132    2.0571449   -0.6156155  0.00    0.0007399    0.0141685   -0.0099012
 H    2.5981245    3.0490399   -1.0534597  0.00   -0.0047218    0.0069236   -0.0060256
 C    1.1990189    1.6279931   -0.3064034  0.00   -0.0069292   -0.0029516   -0.0061829
 H    1.0874048    0.6235896    0.1188377  0.00   -0.0125724   -0.0069330    0.0056944
 C   -0.0227330    2.3755535   -0.4916953  0.00    0.0083707    0.0067308    0.0029072
 C    0.0645822    3.7503747   -1.0750215  0.00    0.0199146   -0.0087960   -0.0047866
 H   -0.9096431    4.2423040   -1.1744470  0.00   -0.0110827   -0.0033567    0.0007814
 H    0.5255168    3.7229194   -2.0764281  0.00    0.0054774   -0.0006372   -0.0003739
 H    0.7024868    4.4001639   -0.4530969  0.00    0.0094373    0.0054764   -0.0000827
 C   -1.2192677    1.7782811   -0.1134201  0.00    0.0194809   -0.0056276    0.0116126
 H   -1.1849611    0.7654425    0.3009230  0.00    0.0031265   -0.0042444    0.0053767
 C   -2.5065457    2.3512083   -0.2061328  0.00   -0.0013257   -0.0041737   -0.0074856
 H   -2.6454564    3.3609120   -0.6084351  0.00    0.0048236   -0.0016340    0.0032752
 N   -3.6057925    1.7227450    0.1643115  0.00    0.0053212    0.0026099   -0.0034059
 H   -3.4997727    0.7436350    0.5242089  0.00   -0.0003196   -0.0113273   -0.0114655
 C   -4.9381659    2.2720063    0.0887986  0.00   -0.0024193   -0.0023348   -0.0083315
 H   -4.9097993    3.1886436   -0.5216527  0.00   -0.0017219    0.0005933   -0.0110860
 H   -5.5763092    1.5429571   -0.4383621  0.00   -0.0027710    0.0008596    0.0003488
 C   -5.5312047    2.5705105    1.4655240  0.00   -0.0051413    0.0013569   -0.0127971
 H   -5.5049860    1.6437659    2.0639531  0.00    0.0008486    0.0042182    0.0196426
 H   -4.8801139    3.2982842    1.9824112  0.00   -0.0058140   -0.0133538    0.0113297
 C   -6.9601765    3.1015146    1.3962238  0.00    0.0149778    0.0009259   -0.0012023
 H   -6.9785184    4.0185109    0.7802778  0.00   -0.0001765   -0.0052465    0.0051393
 H   -7.5932506    2.3731296    0.8633964  0.00    0.0069578   -0.0122307   -0.0091991
 C   -7.5609943    3.3909369    2.7637131  0.00    0.0209278    0.0154417   -0.0071005
 H   -8.5951072    3.7529589    2.6791675  0.00   -0.0242595   -0.0068351   -0.0090757
 H   -7.5767729    2.4891320    3.3954461  0.00   -0.0022968   -0.0075021    0.0012513
 H   -6.9902225    4.1619405    3.3048150  0.00    0.0228440   -0.0002869    0.0040995
 O   -5.7196260   -1.1479670   -0.9787397  0.00   -0.0143176   -0.0013959   -0.0040424
 H   -4.8751583   -1.7022596   -0.6655939  0.00    0.0055931    0.0050251    0.0179909
 C   -6.8323532   -1.6618677   -0.5513518  0.00    0.0068888    0.0365302   -0.0222971
 O   -7.0002997   -2.6271460    0.1454457  0.00   -0.0194670   -0.0099359    0.0037164
 C   -8.0354829   -0.8595246   -1.0987053  0.00    0.0149003   -0.0019046   -0.0082464
 F   -7.8703109    0.4577739   -0.9169574  0.00   -0.0088693   -0.0127683    0.0049033
 F   -8.1786489   -1.0689545   -2.4073052  0.00    0.0037783    0.0003485    0.0114764
 F   -9.1643532   -1.2133635   -0.4980643  0.00   -0.0012896    0.0018723    0.0094976
 O   -2.9416750   -0.7452336    1.0129584  0.00    0.0003838    0.0074671    0.0071362
 C   -2.9031067   -1.8608424    0.4784827  0.00    0.0096512   -0.0242131   -0.0105255
 O   -3.7005735   -2.4144728   -0.3027597  0.00   -0.0009307   -0.0050978   -0.0005464
 C   -1.6449368   -2.6881623    0.8353823  0.00    0.0029063   -0.0090994    0.0072861
 F   -1.5718845   -2.9089700    2.1499645  0.00    0.0022352   -0.0017997    0.0113669
 F   -1.6073691   -3.8724674    0.2263330  0.00   -0.0018332   -0.0074730    0.0032970
 F   -0.5362163   -2.0223295    0.4793051  0.00    0.0170549    0.0093885    0.0007902
78
 Energy =   -2041.3849689530
 C    8.2841791   -1.5135395   -0.2913303  0.00   -0.0109810   -0.0085763   -0.0078835
 C    9.3528983   -2.4516017    0.1751652  0.00   -0.0063846    0.0162781    0.0048345
 C   10.4080806   -1.8125956    1.0513594  0.00    0.0177472   -0.0007013    0.0019628
 C   10.8462586   -0.5138704    0.4092849  0.00   -0.0024277    0.0381018    0.0087648
 C    9.7098676    0.5162896    0.2911898  0.00   -0.0126894    0.0038120   -0.0021747
 C   10.1749824    1.5940163   -0.7023392  0.00    0.0006296    0.0082789    0.0005190
 H    9.5424461    2.4925054   -0.7006897  0.00   -0.0205410   -0.0097298    0.0027463
 H   10.2136770    1.2037823   -1.7309661  0.00   -0.0033192   -0.0001549   -0.0024212
 H   11.1898688    1.9190581   -0.4295854  0.00    0.0208399    0.0034988    0.0020379
 C    9.4694168    1.1821932    1.6592762  0.00   -0.0122165   -0.0124305    0.0079854
 H    8.6643895    1.9292123    1.6009441  0.00   -0.0053455    0.0029372    0.0076072
 H   10.3858604    1.6925163    1.9958447  0.00   -0.0030093    0.0092273   -0.0092257
 H    9.1918346    0.4501536    2.4330595  0.00   -0.0075273    0.0023225   -0.0177625
 H   11.2441808   -0.7263300   -0.5989407  0.00    0.0104033   -0.0145694    0.0015712
 H   11.6664944   -0.0504273    0.9789188  0.00    0.0270594    0.0036327   -0.0136514
 H   10.0021926   -1.6212485    2.0581882  0.00   -0.0072219   -0.0064357    0.0090660
 H   11.2640783   -2.4926840    1.1856866  0.00   -0.0146085   -0.0007180   -0.0069687
 H    8.8720955   -3.3134895    0.6737046  0.00   -0.0034805   -0.0004515   -0.0008509
 H    9.8191841   -2.8932874   -0.7311590  0.00   -0.0022584   -0.0037053    0.0164219
 C    7.1319797   -2.2088617   -0.9338273  0.00   -0.0345950    0.0306994   -0.0140234
 H    6.5665359   -1.5675490   -1.6213196  0.00   -0.0088991    0.0043203    0.0044170
 H    6.4349837   -2.5974214   -0.1659593  0.00   -0.0051464   -0.0023402   -0.0225878
 H    7.4927610   -3.0908061   -1.4879400  0.00   -0.0015036   -0.0080261    0.0025682
 C    8.3970743   -0.1333403   -0.1800536  0.00   -0.0014754   -0.0126339    0.0020614
 C    7.3258503    0.7895156   -0.5061947  0.00   -0.0018476   -0.0100358   -0.0061539
 H    7.6468267    1.7749158   -0.8522888  0.00    0.0030954    0.0112815    0.0087969
 C    5.9731169    0.6106277   -0.3438672  0.00    0.0010249   -0.0096221    0.0074199
 H    5.6129556   -0.3224994    0.0985056  0.00   -0.0076878   -0.0103795    0.0083765
 C    4.9508949    1.5850510   -0.6621679  0.00   -0.0033562   -0.0203562    0.0051128
 C    5.3650292    2.8846268   -1.2767831  0.00   -0.0000563   -0.0005816   -0.0082319
 H    4.5120496    3.5404843   -1.4859013  0.00    0.0019865    0.0025924   -0.0053663
 H    5.8958067    2.7162745   -2.2285311  0.00    0.0015442    0.0032710    0.0005747
 H    6.0571951    3.4332107   -0.6165796  0.00    0.0001288    0.0095741    0.0032186
 C    3.6378893    1.2549092   -0.3914096  0.00    0.0080309    0.0348096   -0.0122241
 H    3.4566133    0.2676725    0.0491523  0.00    0.0020306   -0.0165483    0.0129243
 C    2.4653340    2.0569026   -0.6164050  0.00    0.0075001   -0.0215983    0.0031576
 H    2.5967907    3.0489580   -1.0542975  0.00   -0.0020925    0.0016415   -0.0042844
 C    1.1986081    1.6260329   -0.3064438  0.00    0.0111598   -0.0002981   -0.0070594
 H    1.0867708    0.6214737    0.1198063  0.00   -0.0091243    0.0024300    0.0004006
 C   -0.0215031    2.3741042   -0.4917367  0.00    0.0059134   -0.0006969    0.0064860
 C    0.0658839    3.7481301   -1.0751621  0.00    0.0101846    0.0117890    0.0004589
 H   -0.9090416    4.2398186   -1.1742867  0.00   -0.0041914   -0.0064767    0.0007753
 H    0.5258580    3.7216504   -2.0767241  0.00    0.0088934   -0.0022883   -0.0034026
 H    0.7029605    4.3995466   -0.4530203  0.00    0.0058677   -0.0021210   -0.0053642
 C   -1.2167234    1.7760468   -0.1123476  0.00    0.0045552   -0.0014874    0.0088148
 H   -1.1818989    0.7630565    0.3018413  0.00    0.0018264   -0.0011609    0.0045842
 C   -2.5036127    2.3496944   -0.2059537  0.00   -0.0046935   -0.0090569   -0.0020867
 H   -2.6410813    3.3597167   -0.6071992  0.00    0.0031781    0.0019872    0.0005450
 N   -3.6032477    1.7217261    0.1636723  0.00   -0.0021253    0.0033360   -0.0051938
 H   -3.4972468    0.7423723    0.5232175  0.00   -0.0008174   -0.0117049   -0.0112150
 C   -4.9361095    2.2706304    0.0887015  0.00    0.0117027   -0.0029623   -0.0124893
 H   -4.9083931    3.1871907   -0.5216904  0.00   -0.0011583    0.0022881   -0.0131247
 H   -5.5745053    1.5414801   -0.4379904  0.00   -0.0016332    0.0005471    0.0007338
 C   -5.5277896    2.5694378    1.4651785  0.00   -0.0028583   -0.0071340   -0.0147375
 H   -5.5018466    1.6429689    2.0637393  0.00   -0.0005048    0.0009402    0.0204254
 H   -4.8766479    3.2959569    1.9824910  0.00   -0.0004516   -0.0050208    0.0132858
 C   -6.9558673    3.1001868    1.3943423  0.00    0.0155246   -0.0052479   -0.0061001
 H   -6.9731851    4.0167972    0.7778348  0.00   -0.0019542   -0.0034713    0.0069851
 H   -7.5866100    2.3708033    0.8592871  0.00    0.0047173   -0.0058896   -0.0008845
 C   -7.5561686    3.3892212    2.7614525  0.00   -0.0229943    0.0170000   -0.0041116
 H   -8.5925031    3.7499203    2.6754586  0.00    0.0026865   -0.0125431   -0.0037265
 H   -7.5732741    2.4872594    3.3941010  0.00    0.0022366    0.0010457   -0.0057296
 H   -6.9868045    4.1613667    3.3023634  0.00    0.0225967   -0.0012934    0.0039262
 O   -5.7175572   -1.1470265   -0.9791642  0.00    0.0230213   -0.0067702   -0.0011211
 H   -4.8738040   -1.7033071   -0.6645431  0.00    0.0039740    0.0134763    0.0125746
 C   -6.8287665   -1.6608454   -0.5510514  0.00   -0.0119665    0.0144242   -0.0083496
 O   -6.9973343   -2.6267475    0.1452522  0.00   -0.0116981   -0.0053448    0.0017869
 C   -8.0296957   -0.8589904   -1.0978749  0.00   -0.0065846   -0.0058202    0.0068387
 F   -7.8650104    0.4569779   -0.9139784  0.00   -0.0022567    0.0133887    0.0002225
 F   -8.1700168   -1.0680187   -2.4062676  0.00   -0.0065308    0.0008845    0.0004556
 F   -9.1595469   -1.2114616   -0.4974580  0.00   -0.0025773   -0.0060450   -0.0001409
 O   -2.9397040   -0.7423813    1.0109181  0.00    0.0004659   -0.0277312   -0.0137954
 C   -2.9020101   -1.8593969    0.4767931  0.00    0.0075244    0.0044448    0.0162805
 O   -3.7012516   -2.4155119   -0.3004905  0.00   -0.0049804    0.0005418   -0.0066308
 C   -1.6454684   -2.6871961    0.8351714  0.00    0.0081518    0.0077013    0.0104650
 F   -1.5760275   -2.9056654    2.1506820  0.00    0.0102160   -0.0051776   -0.0003105
 F   -1.6111240   -3.8718677    0.2272676  0.00    0.0114058   -0.0057885    0.0070921
 F   -0.5346764   -2.0220740    0.4797718  0.00   -0.0006829   -0.0118978    0.0075921
78
 Energy =   -2041.3850381341
 C    8.2797715   -1.5135862   -0.2919085  0.00   -0.0188445    0.0038424   -0.0119677
 C    9.3473916   -2.4516436    0.1756386  0.00    0.0137158    0.0184808   -0.0052715
 C   10.4034276   -1.8121802    1.0519859  0.00    0.0001144    0.0044179   -0.0021150
 C   10.8417402   -0.5123874    0.4089150  0.00    0.0285389    0.0190679    0.0201242
 C    9.7061116    0.5178202    0.2908164  0.00   -0.0067528   -0.0035845   -0.0032332
 C   10.1718680    1.5951068   -0.7035954  0.00   -0.0008232   -0.0037715    0.0038407
 H    9.5388662    2.4919549   -0.7019541  0.00   -0.0309863    0.0060484    0.0020062
 H   10.2081111    1.2038996   -1.7321480  0.00    0.0007639    0.0011756    0.0014693
 H   11.1864778    1.9225822   -0.4322305  0.00    0.0197877   -0.0029159    0.0022226
 C    9.4650835    1.1819848    1.6602367  0.00   -0.0218178   -0.0050836   -0.0097836
 H    8.6608174    1.9304354    1.6034228  0.00   -0.0034959   -0.0023131    0.0045200
 H   10.3813132    1.6922046    1.9953838  0.00    0.0058377    0.0104478   -0.0007704
 H    9.1863347    0.4493104    2.4326893  0.00   -0.0042933    0.0006226   -0.0154585
 H   11.2407529   -0.7276251   -0.5995376  0.00    0.0006325   -0.0077151    0.0158976
 H   11.6647114   -0.0496970    0.9783884  0.00    0.0054327   -0.0053282   -0.0255433
 H    9.9950439   -1.6235922    2.0587019  0.00   -0.0004662    0.0016770    0.0046638
 H   11.2584473   -2.4929824    1.1874848  0.00   -0.0106435    0.0001966   -0.0100989
 H    8.8676212   -3.3138560    0.6726647  0.00   -0.0123345   -0.0074769    0.0111319
 H    9.8143032   -2.8958172   -0.7293717  0.00   -0.0028827    0.0026005    0.0137673
 C    7.1253008   -2.2067702   -0.9345928  0.00   -0.0039884    0.0158460   -0.0011037
 H    6.5606946   -1.5661235   -1.6223726  0.00   -0.0127199    0.0100452   -0.0002799
 H    6.4297482   -2.5963230   -0.1662053  0.00   -0.0093822   -0.0007919   -0.0219330
 H    7.4881268   -3.0892004   -1.4869281  0.00   -0.0081741   -0.0066217   -0.0013983
 C    8.3945055   -0.1332550   -0.1814758  0.00   -0.0087966   -0.0103732    0.0077559
 C    7.3228439    0.7893345   -0.5058394  0.00    0.0106158    0.0010064   -0.0102266
 H    7.6428690    1.7761634   -0.8503881  0.00    0.0015885    0.0022079    0.0102295
 C    5.9708237    0.6099860   -0.3428297  0.00   -0.0099158   -0.0131264    0.0048188
 H    5.6099684   -0.3233947    0.0990880  0.00   -0.0051414   -0.0059705    0.0069708
 C    4.9490225    1.5840710   -0.6620743  0.00    0.0024353    0.0002689    0.0013291
 C    5.3626192    2.8844051   -1.2767219  0.00    0.0262825   -0.0012431   -0.0087470
 H    4.5116448    3.5421536   -1.4877438  0.00   -0.0034041   -0.0030164   -0.0037219
 H    5.8958137    2.7156021   -2.2280697  0.00   -0.0051908    0.0060491    0.0125336
 H    6.0545925    3.4333006   -0.6149856  0.00   -0.0078767    0.0021831   -0.0060684
 C    3.6364823    1.2550078   -0.3911612  0.00    0.0070687   -0.0186135    0.0043086
 H    3.4560621    0.2651793    0.0494780  0.00    0.0038535    0.0178287   -0.0000523
 C    2.4648203    2.0555828   -0.6167589  0.00    0.0000592    0.0001758   -0.0033019
 H    2.5953405    3.0485351   -1.0549125  0.00   -0.0020475   -0.0117457    0.0011041
 C    1.1985031    1.6245123   -0.3066343  0.00    0.0105147   -0.0053141   -0.0019595
 H    1.0850270    0.6203068    0.1204450  0.00   -0.0038380    0.0044641   -0.0018103
 C   -0.0204282    2.3729811   -0.4914623  0.00    0.0055806    0.0009518    0.0054832
 C    0.0670288    3.7468140   -1.0752028  0.00    0.0062218    0.0105351   -0.0040516
 H   -0.9088229    4.2371001   -1.1739875  0.00    0.0003585   -0.0045298   -0.0008990
 H    0.5266786    3.7191930   -2.0773770  0.00    0.0059185    0.0005240    0.0039166
 H    0.7036490    4.3988104   -0.4529747  0.00    0.0049106   -0.0036150   -0.0080701
 C   -1.2147901    1.7743112   -0.1114441  0.00   -0.0073180    0.0027771    0.0063091
 H   -1.1793363    0.7613355    0.3026390  0.00    0.0008496   -0.0006873    0.0042823
 C   -2.5016123    2.3483088   -0.2059604  0.00    0.0086901   -0.0085698   -0.0000802
 H   -2.6369439    3.3587647   -0.6062689  0.00   -0.0008779    0.0042746   -0.0012524
 N   -3.6013368    1.7209226    0.1627423  0.00   -0.0032670   -0.0105760   -0.0034914
 H   -3.4954565    0.7408323    0.5215502  0.00   -0.0021507   -0.0042523   -0.0128117
 C   -4.9335959    2.2694602    0.0878383  0.00    0.0042132    0.0021517   -0.0081196
 H   -4.9074483    3.1862508   -0.5220622  0.00    0.0019022    0.0030390   -0.0156394
 H   -5.5728523    1.5405916   -0.4376842  0.00   -0.0017076   -0.0026802   -0.0030154
 C   -5.5250070    2.5683130    1.4640894  0.00    0.0041625   -0.0122375   -0.0031665
 H   -5.4995059    1.6422333    2.0638208  0.00   -0.0012450    0.0020573    0.0148992
 H   -4.8741038    3.2938255    1.9826665  0.00    0.0033954   -0.0004217    0.0116241
 C   -6.9520508    3.0990611    1.3928881  0.00    0.0007071   -0.0150818   -0.0109067
 H   -6.9703150    4.0152501    0.7764294  0.00    0.0003957    0.0016314    0.0035785
 H   -7.5813689    2.3685974    0.8563279  0.00    0.0056326    0.0020705    0.0070468
 C   -7.5533231    3.3880652    2.7596036  0.00   -0.0208554    0.0116373   -0.0053870
 H   -8.5902488    3.7469940    2.6716286  0.00    0.0061219   -0.0110673    0.0012465
 H   -7.5691463    2.4858104    3.3922385  0.00    0.0000257    0.0042597   -0.0069336
 H   -6.9837526    4.1603953    3.3005898  0.00    0.0165392   -0.0023139    0.0014164
 O   -5.7150326   -1.1470844   -0.9794346  0.00    0.0276625   -0.0009513   -0.0010627
 H   -4.8716010   -1.7032913   -0.6636461  0.00    0.0078404    0.0094071    0.0120090
 C   -6.8260010   -1.6597050   -0.5509507  0.00   -0.0188180   -0.0255259    0.0161532
 O   -6.9962007   -2.6265560    0.1452388  0.00   -0.0005862    0.0224479   -0.0160554
 C   -8.0255803   -0.8586262   -1.0971021  0.00   -0.0299534    0.0103385    0.0119367
 F   -7.8620786    0.4577299   -0.9118495  0.00    0.0016680    0.0091456   -0.0044179
 F   -8.1654958   -1.0671826   -2.4052840  0.00   -0.0068706    0.0023698   -0.0048598
 F   -9.1560071   -1.2107797   -0.4969978  0.00    0.0007510   -0.0087606   -0.0029945
 O   -2.9382255   -0.7418360    1.0084554  0.00    0.0010816    0.0093682    0.0027262
 C   -2.9008258   -1.8581966    0.4758947  0.00   -0.0007564   -0.0418993    0.0021361
 O   -3.7015926   -2.4159583   -0.2992468  0.00    0.0058873    0.0035635   -0.0032924
 C   -1.6448583   -2.6863364    0.8354999  0.00    0.0253197   -0.0034767    0.0082208
 F   -1.5747814   -2.9044242    2.1508724  0.00    0.0017911   -0.0025364    0.0053136
 F   -1.6087531   -3.8715930    0.2286948  0.00    0.0014706   -0.0064493    0.0040639
 F   -0.5332581   -2.0226646    0.4805517  0.00    0.0014686   -0.0009553    0.0036996
78
 Energy =   -2041.3850982064
 C    8.2759215   -1.5134681   -0.2927064  0.00   -0.0228204    0.0077842   -0.0106785
 C    9.3431156   -2.4511347    0.1759594  0.00    0.0087959    0.0092550   -0.0061442
 C   10.3992818   -1.8114012    1.0523828  0.00    0.0023861    0.0035948   -0.0051727
 C   10.8393437   -0.5107649    0.4095521  0.00    0.0207419   -0.0065129    0.0075879
 C    9.7031803    0.5187348    0.2904075  0.00   -0.0050187   -0.0043271   -0.0023855
 C   10.1692885    1.5961339   -0.7045073  0.00    0.0001646   -0.0150694    0.0123240
 H    9.5356832    2.4916166   -0.7020803  0.00   -0.0365091    0.0180411    0.0003749
 H   10.2038229    1.2043281   -1.7327917  0.00    0.0029737    0.0016070    0.0004648
 H   11.1841786    1.9244228   -0.4339598  0.00    0.0148943   -0.0062290    0.0013883
 C    9.4603702    1.1815669    1.6603917  0.00    0.0107688    0.0100160   -0.0129396
 H    8.6579181    1.9313117    1.6071542  0.00   -0.0142536    0.0014091   -0.0046463
 H   10.3777509    1.6927145    1.9943267  0.00   -0.0069166   -0.0007274    0.0008273
 H    9.1817085    0.4486830    2.4317573  0.00   -0.0029756   -0.0062874   -0.0081052
 H   11.2379935   -0.7288340   -0.5995548  0.00   -0.0052343   -0.0007174    0.0292055
 H   11.6636831   -0.0491504    0.9777521  0.00    0.0027099   -0.0038503   -0.0224579
 H    9.9897041   -1.6254078    2.0591738  0.00    0.0045998    0.0067049    0.0040825
 H   11.2535823   -2.4936397    1.1862318  0.00   -0.0107940    0.0038629   -0.0069671
 H    8.8629667   -3.3141698    0.6724498  0.00   -0.0089058    0.0014810    0.0124082
 H    9.8102444   -2.8974894   -0.7275711  0.00   -0.0008527    0.0049467    0.0076054
 C    7.1196315   -2.2048917   -0.9351508  0.00    0.0092230    0.0075381    0.0003539
 H    6.5546923   -1.5643380   -1.6231816  0.00   -0.0077575    0.0070652    0.0030924
 H    6.4248392   -2.5955296   -0.1666624  0.00   -0.0104929    0.0018512   -0.0210032
 H    7.4833373   -3.0879996   -1.4862466  0.00   -0.0124956   -0.0037740   -0.0045749
 C    8.3920058   -0.1334184   -0.1820306  0.00   -0.0072969   -0.0029625    0.0032140
 C    7.3206495    0.7892036   -0.5061602  0.00    0.0072325   -0.0023720   -0.0011134
 H    7.6399888    1.7771468   -0.8476402  0.00    0.0021067    0.0027962    0.0063071
 C    5.9688457    0.6091456   -0.3418845  0.00   -0.0074492   -0.0052221   -0.0036398
 H    5.6074427   -0.3241570    0.0996210  0.00   -0.0033833   -0.0062134    0.0073460
 C    4.9475762    1.5832733   -0.6619870  0.00    0.0068951    0.0089635   -0.0018269
 C    5.3611872    2.8842124   -1.2767862  0.00    0.0190813   -0.0011354    0.0048317
 H    4.5112530    3.5427944   -1.4894439  0.00   -0.0075995   -0.0064026   -0.0002107
 H    5.8947930    2.7172570   -2.2270779  0.00    0.0041068   -0.0009442    0.0003758
 H    6.0519241    3.4334991   -0.6142004  0.00   -0.0063087    0.0020274   -0.0049236
 C    3.6354665    1.2538569   -0.3909240  0.00    0.0127382    0.0023666   -0.0056628
 H    3.4566893    0.2651980    0.0497212  0.00   -0.0038546   -0.0006426    0.0083709
 C    2.4643824    2.0544677   -0.6171794  0.00    0.0007809   -0.0057084   -0.0009039
 H    2.5938787    3.0474039   -1.0552559  0.00    0.0010941   -0.0105158   -0.0000654
 C    1.1986154    1.6230635   -0.3068222  0.00    0.0045014    0.0041542   -0.0013858
 H    1.0831363    0.6199549    0.1208023  0.00    0.0009756   -0.0051290    0.0007417
 C   -0.0194230    2.3721840   -0.4910154  0.00    0.0031566    0.0043415    0.0014466
 C    0.0680859    3.7461706   -1.0754240  0.00    0.0022037   -0.0021587    0.0038882
 H   -0.9086420    4.2343593   -1.1738358  0.00    0.0007517    0.0013134   -0.0028034
 H    0.5276811    3.7177311   -2.0772880  0.00    0.0067684    0.0017732   -0.0000250
 H    0.7044847    4.3980003   -0.4530107  0.00    0.0044359   -0.0011305   -0.0079601
 C   -1.2133972    1.7730453   -0.1106318  0.00   -0.0058923    0.0041366    0.0040871
 H   -1.1771555    0.7600774    0.3034095  0.00   -0.0007766    0.0000384    0.0039988
 C   -2.4999016    2.3469863   -0.2060280  0.00    0.0094795    0.0016791   -0.0009452
 H   -2.6337472    3.3582744   -0.6056220  0.00   -0.0026439   -0.0013822    0.0003392
 N   -3.5999820    1.7201709    0.1617100  0.00    0.0017724   -0.0176448   -0.0073781
 H   -3.4944415    0.7394834    0.5191270  0.00   -0.0025400   -0.0030489   -0.0108927
 C   -4.9314712    2.2685645    0.0866683  0.00   -0.0041855    0.0046461   -0.0013764
 H   -4.9065967    3.1856888   -0.5227715  0.00    0.0039264    0.0023086   -0.0162128
 H   -5.5716720    1.5398268   -0.4375690  0.00   -0.0009318   -0.0043482   -0.0066617
 C   -5.5222513    2.5668786    1.4630676  0.00   -0.0016937   -0.0030517    0.0069233
 H   -5.4980193    1.6417285    2.0641246  0.00    0.0009076   -0.0023951    0.0109283
 H   -4.8718480    3.2920121    1.9829978  0.00    0.0045867    0.0000990    0.0077870
 C   -6.9492045    3.0977910    1.3915527  0.00    0.0007694   -0.0122018   -0.0057389
 H   -6.9677481    4.0139783    0.7755945  0.00    0.0015807    0.0042842   -0.0008061
 H   -7.5770707    2.3668985    0.8544592  0.00   -0.0000047    0.0007788    0.0061218
 C   -7.5517657    3.3873065    2.7579904  0.00    0.0030232    0.0063733   -0.0112179
 H   -8.5884252    3.7441340    2.6687738  0.00   -0.0045392   -0.0037557    0.0031483
 H   -7.5659946    2.4849076    3.3897163  0.00   -0.0028067   -0.0006407   -0.0007775
 H   -6.9811666    4.1593123    3.2992078  0.00    0.0083182   -0.0043767   -0.0022510
 O   -5.7122412   -1.1474223   -0.9795904  0.00    0.0049546    0.0012237    0.0024539
 H   -4.8685663   -1.7028291   -0.6628221  0.00    0.0039296    0.0051877    0.0111593
 C   -6.8242920   -1.6590948   -0.5507353  0.00    0.0018783   -0.0122474    0.0060732
 O   -6.9951230   -2.6258158    0.1449045  0.00   -0.0015430    0.0102432   -0.0063612
 C   -8.0241306   -0.8579943   -1.0957108  0.00   -0.0055609    0.0218867   -0.0154111
 F   -7.8596087    0.4591249   -0.9116722  0.00   -0.0065876   -0.0041122    0.0005323
 F   -8.1637576   -1.0662357   -2.4046085  0.00   -0.0067156    0.0027046    0.0020353
 F   -9.1533152   -1.2112983   -0.4966855  0.00   -0.0147186   -0.0049416    0.0080239
 O   -2.9369095   -0.7413599    1.0067764  0.00    0.0022241    0.0209399    0.0086145
 C   -2.8999415   -1.8578124    0.4752485  0.00    0.0190766   -0.0523349    0.0139503
 O   -3.7011820   -2.4158387   -0.2983590  0.00    0.0030726   -0.0084644   -0.0128150
 C   -1.6428458   -2.6858389    0.8361448  0.00    0.0107556   -0.0187441    0.0025618
 F   -1.5726351   -2.9040173    2.1513047  0.00   -0.0024809    0.0007141    0.0110938
 F   -1.6057557   -3.8721527    0.2301851  0.00   -0.0038408   -0.0000849    0.0035462
 F   -0.5317913   -2.0231633    0.4814354  0.00    0.0137350    0.0113460   -0.0017041
78
 Energy =   -2041.3851535731
 C    8.2721044   -1.5130451   -0.2937333  0.00   -0.0136979   -0.0005819   -0.0036509
 C    9.3394702   -2.4503954    0.1761221  0.00   -0.0061711    0.0022662    0.0017620
 C   10.3960524   -1.8104432    1.0523976  0.00   -0.0023478    0.0050913   -0.0066438
 C   10.8383754   -0.5094873    0.4105307  0.00   -0.0076765   -0.0237711   -0.0054815
 C    9.7009652    0.5191830    0.2899104  0.00    0.0000902   -0.0060954    0.0012388
 C   10.1672053    1.5966015   -0.7048778  0.00   -0.0015071   -0.0068174    0.0148902
 H    9.5327428    2.4921481   -0.7020043  0.00   -0.0284043    0.0122179   -0.0005505
 H   10.2021354    1.2053611   -1.7331299  0.00    0.0005766   -0.0006731   -0.0029721
 H   11.1828546    1.9243071   -0.4351282  0.00    0.0082595   -0.0053882    0.0028860
 C    9.4573689    1.1816319    1.6598088  0.00    0.0059513    0.0090902   -0.0092150
 H    8.6554602    1.9321393    1.6087814  0.00   -0.0161041   -0.0002249   -0.0103564
 H   10.3742672    1.6931383    1.9932687  0.00   -0.0008986   -0.0010188    0.0058607
 H    9.1778827    0.4481527    2.4306279  0.00    0.0012867   -0.0034347   -0.0094015
 H   11.2350601   -0.7298605   -0.5987647  0.00   -0.0019515    0.0026501    0.0277243
 H   11.6635596   -0.0487133    0.9770321  0.00    0.0056512    0.0000939   -0.0153057
 H    9.9869282   -1.6265073    2.0597142  0.00    0.0066849    0.0091752    0.0044759
 H   11.2488569   -2.4939940    1.1831260  0.00   -0.0002827   -0.0014849   -0.0001984
 H    8.8583170   -3.3140462    0.6731789  0.00    0.0003108    0.0164615    0.0072333
 H    9.8070616   -2.8981167   -0.7257650  0.00    0.0014158    0.0027928   -0.0014830
 C    7.1149205   -2.2032112   -0.9356259  0.00    0.0009528    0.0020013   -0.0025102
 H    6.5488544   -1.5624344   -1.6235862  0.00    0.0007669    0.0008360    0.0092786
 H    6.4198217   -2.5949191   -0.1673531  0.00   -0.0058582    0.0066896   -0.0226780
 H    7.4777349   -3.0871347   -1.4862400  0.00   -0.0121425   -0.0011849   -0.0067578
 C    8.3896858   -0.1337040   -0.1823836  0.00   -0.0000189    0.0067069   -0.0004239
 C    7.3190873    0.7887696   -0.5064684  0.00   -0.0012858    0.0026010    0.0068347
 H    7.6381099    1.7780110   -0.8444493  0.00    0.0013347    0.0013792    0.0026999
 C    5.9672526    0.6083450   -0.3412829  0.00   -0.0036635    0.0004317   -0.0093443
 H    5.6052951   -0.3248646    0.1001563  0.00   -0.0015761   -0.0045893    0.0062613
 C    4.9466875    1.5828208   -0.6619718  0.00    0.0149849    0.0136271   -0.0032738
 C    5.3604230    2.8841572   -1.2768061  0.00    0.0095496   -0.0120142    0.0075665
 H    4.5108530    3.5420163   -1.4907910  0.00   -0.0155496   -0.0026259    0.0001076
 H    5.8944979    2.7185077   -2.2262547  0.00    0.0106579   -0.0058300   -0.0079849
 H    6.0491988    3.4338963   -0.6140107  0.00    0.0029329    0.0079924    0.0038293
 C    3.6350287    1.2533723   -0.3908049  0.00    0.0082644   -0.0003475   -0.0062083
 H    3.4563567    0.2650026    0.0500114  0.00   -0.0039880   -0.0037720    0.0098934
 C    2.4640625    2.0531149   -0.6175483  0.00    0.0052707   -0.0033269   -0.0011983
 H    2.5928417    3.0457945   -1.0555063  0.00    0.0031781   -0.0050616   -0.0028877
 C    1.1987965    1.6220352   -0.3070449  0.00   -0.0050996    0.0010588    0.0040870
 H    1.0814929    0.6194528    0.1210824  0.00    0.0052047   -0.0072997    0.0007579
 C   -0.0184953    2.3717746   -0.4905390  0.00   -0.0011599    0.0036103   -0.0022316
 C    0.0690559    3.7456038   -1.0754443  0.00   -0.0014260   -0.0053592    0.0046489
 H   -0.9084725    4.2322640   -1.1740454  0.00    0.0039065    0.0046661   -0.0028074
 H    0.5290138    3.7177256   -2.0771512  0.00    0.0057552   -0.0002251   -0.0004255
 H    0.7054619    4.3973546   -0.4531407  0.00    0.0029855    0.0012657   -0.0062758
 C   -1.2123626    1.7722459   -0.1098941  0.00    0.0032019    0.0030183    0.0021938
 H   -1.1754963    0.7592273    0.3042083  0.00   -0.0021473    0.0018484    0.0033048
 C   -2.4983917    2.3459223   -0.2061972  0.00    0.0047749    0.0118157   -0.0027506
 H   -2.6316585    3.3577689   -0.6050724  0.00   -0.0023957   -0.0040573    0.0012525
 N   -3.5988449    1.7193981    0.1599800  0.00   -0.0036153   -0.0215991   -0.0085444
 H   -3.4942055    0.7382408    0.5159395  0.00   -0.0003455   -0.0049644   -0.0076285
 C   -4.9301234    2.2679564    0.0855174  0.00   -0.0050152    0.0032641    0.0005469
 H   -4.9056075    3.1853935   -0.5238968  0.00    0.0029530   -0.0008784   -0.0133508
 H   -5.5710344    1.5389561   -0.4378022  0.00    0.0016466   -0.0020248   -0.0075799
 C   -5.5201348    2.5654832    1.4624359  0.00   -0.0001002    0.0098812    0.0133645
 H   -5.4968043    1.6413004    2.0646372  0.00    0.0029452   -0.0083396    0.0078020
 H   -4.8694919    3.2904448    1.9834716  0.00   -0.0001060   -0.0035796    0.0013861
 C   -6.9470328    3.0964362    1.3904121  0.00    0.0073928   -0.0008137   -0.0019282
 H   -6.9649149    4.0130016    0.7750667  0.00    0.0008449    0.0029749   -0.0042362
 H   -7.5737599    2.3654610    0.8534351  0.00   -0.0074516   -0.0038660    0.0008667
 C   -7.5503037    3.3868508    2.7560948  0.00    0.0107200   -0.0035078   -0.0034876
 H   -8.5872276    3.7416229    2.6672413  0.00   -0.0090719    0.0039450    0.0007799
 H   -7.5650292    2.4842390    3.3874632  0.00   -0.0007970   -0.0016767    0.0013170
 H   -6.9789970    4.1581257    3.2980632  0.00    0.0031654   -0.0049845   -0.0050262
 O   -5.7101415   -1.1478461   -0.9794769  0.00   -0.0054450    0.0060041    0.0036761
 H   -4.8655835   -1.7020590   -0.6620282  0.00   -0.0027823    0.0015098    0.0100180
 C   -6.8230368   -1.6587468   -0.5505231  0.00    0.0095772    0.0202595   -0.0195944
 O   -6.9944777   -2.6248057    0.1444153  0.00   -0.0061566   -0.0167366    0.0140705
 C   -8.0236330   -0.8567462   -1.0958568  0.00    0.0000073   -0.0023430    0.0024120
 F   -7.8600586    0.4596893   -0.9114089  0.00   -0.0068103    0.0062618    0.0027716
 F   -8.1640828   -1.0651344   -2.4038921  0.00   -0.0060784    0.0024664   -0.0127861
 F   -9.1523745   -1.2125074   -0.4962207  0.00   -0.0102016    0.0025526    0.0065431
 O   -2.9354310   -0.7406511    1.0061748  0.00    0.0065183   -0.0127605   -0.0055829
 C   -2.8981289   -1.8583260    0.4750599  0.00    0.0130049   -0.0293361    0.0228271
 O   -3.7003021   -2.4162828   -0.2981952  0.00    0.0197341   -0.0056769   -0.0024417
 C   -1.6403584   -2.6865376    0.8368526  0.00    0.0014077    0.0039695    0.0067240
 F   -1.5707958   -2.9036555    2.1524389  0.00   -0.0007818    0.0012955    0.0051620
 F   -1.6037487   -3.8726141    0.2318789  0.00    0.0011858   -0.0060806   -0.0011438
 F   -0.5293110   -2.0226293    0.4821744  0.00    0.0048607    0.0003175    0.0007437
78
 Energy =   -2041.3852139821
 C    8.2672433   -1.5127430   -0.2949955  0.00    0.0036740    0.0000410    0.0064885
 C    9.3346926   -2.4494628    0.1762896  0.00   -0.0105557    0.0045122    0.0070414
 C   10.3921163   -1.8091782    1.0519082  0.00   -0.0009226   -0.0047091   -0.0012458
 C   10.8363199   -0.5088326    0.4112373  0.00   -0.0133726   -0.0198713    0.0000380
 C    9.6985906    0.5192543    0.2894445  0.00    0.0018875   -0.0050316    0.0020622
 C   10.1645549    1.5968975   -0.7047544  0.00   -0.0048923    0.0062885    0.0013606
 H    9.5289788    2.4933941   -0.7022679  0.00   -0.0108196   -0.0053781    0.0009565
 H   10.2004801    1.2063076   -1.7336788  0.00   -0.0033265    0.0000212    0.0026673
 H   11.1814005    1.9225562   -0.4358627  0.00    0.0010925   -0.0005301    0.0048720
 C    9.4543394    1.1819842    1.6584663  0.00   -0.0083554    0.0046809    0.0034145
 H    8.6524217    1.9329887    1.6064964  0.00   -0.0125112   -0.0057179   -0.0086479
 H   10.3701173    1.6934193    1.9939454  0.00    0.0053485    0.0005952    0.0049236
 H    9.1739017    0.4475722    2.4289207  0.00    0.0022099    0.0051679   -0.0146180
 H   11.2312215   -0.7307762   -0.5970728  0.00    0.0062537    0.0016316    0.0088059
 H   11.6636800   -0.0482382    0.9760848  0.00   -0.0069438   -0.0049857   -0.0168066
 H    9.9859356   -1.6265149    2.0604395  0.00    0.0025496    0.0097513    0.0059638
 H   11.2435332   -2.4945577    1.1796169  0.00    0.0056457   -0.0028882    0.0035902
 H    8.8532598   -3.3124331    0.6747130  0.00    0.0030459    0.0184445    0.0057880
 H    9.8036487   -2.8981656   -0.7238047  0.00    0.0007497   -0.0009367   -0.0089279
 C    7.1094849   -2.2013913   -0.9361206  0.00   -0.0113223   -0.0094959   -0.0042839
 H    6.5426609   -1.5603903   -1.6233101  0.00    0.0033517    0.0016370    0.0090348
 H    6.4135734   -2.5939226   -0.1683893  0.00   -0.0004998    0.0111781   -0.0233970
 H    7.4695883   -3.0861770   -1.4873995  0.00   -0.0079435    0.0015733   -0.0064302
 C    8.3871263   -0.1338885   -0.1827790  0.00    0.0003039    0.0081705   -0.0038453
 C    7.3172112    0.7884444   -0.5063128  0.00   -0.0044625    0.0080533    0.0115447
 H    7.6362395    1.7788633   -0.8407565  0.00   -0.0002700    0.0006668   -0.0007103
 C    5.9653909    0.6075609   -0.3410771  0.00    0.0011320   -0.0008730   -0.0076669
 H    5.6027948   -0.3256625    0.1008052  0.00    0.0013413    0.0020584    0.0018441
 C    4.9462989    1.5827322   -0.6620303  0.00    0.0036755   -0.0000745    0.0042156
 C    5.3596460    2.8832115   -1.2766841  0.00    0.0164123   -0.0010592   -0.0086117
 H    4.5099286    3.5406794   -1.4920504  0.00   -0.0144845   -0.0053394   -0.0014352
 H    5.8959549    2.7173964   -2.2258513  0.00    0.0035045   -0.0028373    0.0040024
 H    6.0463744    3.4347524   -0.6133237  0.00    0.0054248    0.0065609    0.0044865
 C    3.6346883    1.2527990   -0.3907415  0.00    0.0053187   -0.0100857   -0.0038862
 H    3.4547816    0.2643314    0.0504270  0.00    0.0020796    0.0019100    0.0069777
 C    2.4638544    2.0513806   -0.6179824  0.00    0.0072463   -0.0001312   -0.0007659
 H    2.5922923    3.0435502   -1.0558490  0.00    0.0043604    0.0037957   -0.0070135
 C    1.1988112    1.6209717   -0.3071712  0.00   -0.0080520   -0.0087909    0.0104648
 H    1.0804766    0.6183170    0.1213885  0.00    0.0073154   -0.0022163   -0.0015496
 C   -0.0175679    2.3714623   -0.4901093  0.00   -0.0038364   -0.0031545   -0.0019550
 C    0.0700270    3.7446756   -1.0751997  0.00   -0.0024312    0.0040723   -0.0043829
 H   -0.9080541    4.2308717   -1.1746168  0.00    0.0104061    0.0038152   -0.0016509
 H    0.5308439    3.7175216   -2.0770144  0.00    0.0017423   -0.0025755    0.0051042
 H    0.7066288    4.3968143   -0.4533474  0.00    0.0001672    0.0009689   -0.0051583
 C   -1.2111363    1.7715633   -0.1090907  0.00    0.0059932    0.0036191    0.0000990
 H   -1.1741980    0.7586050    0.3051950  0.00   -0.0022734    0.0024403    0.0027233
 C   -2.4966606    2.3451484   -0.2065608  0.00   -0.0058492    0.0051537    0.0007843
 H   -2.6299618    3.3567796   -0.6044043  0.00   -0.0017524    0.0054655   -0.0020741
 N   -3.5977996    1.7182775    0.1570425  0.00   -0.0038712   -0.0245621   -0.0059256
 H   -3.4940325    0.7366467    0.5116483  0.00    0.0025521   -0.0049431   -0.0051485
 C   -4.9289549    2.2673353    0.0842464  0.00   -0.0011791    0.0018761    0.0022816
 H   -4.9041923    3.1848521   -0.5255653  0.00   -0.0001768   -0.0038171   -0.0090589
 H   -5.5701612    1.5378796   -0.4384490  0.00    0.0017418    0.0019703   -0.0062585
 C   -5.5178208    2.5644670    1.4623465  0.00    0.0025240    0.0011339    0.0071175
 H   -5.4947737    1.6404104    2.0653050  0.00    0.0032541   -0.0068318    0.0014784
 H   -4.8669192    3.2884348    1.9839490  0.00    0.0014352    0.0014685    0.0003077
 C   -6.9443644    3.0950541    1.3892099  0.00    0.0062769    0.0044924   -0.0021514
 H   -6.9614240    4.0119215    0.7743098  0.00   -0.0005923    0.0012147   -0.0071774
 H   -7.5705766    2.3635413    0.8524988  0.00   -0.0080205   -0.0022461   -0.0009803
 C   -7.5479384    3.3861764    2.7539136  0.00   -0.0073999   -0.0136213    0.0063111
 H   -8.5860551    3.7394051    2.6660328  0.00    0.0013525    0.0068968   -0.0019160
 H   -7.5641814    2.4833997    3.3853242  0.00    0.0033755   -0.0007596    0.0006230
 H   -6.9764544    4.1563929    3.2964185  0.00    0.0038571    0.0007216   -0.0026599
 O   -5.7082573   -1.1475378   -0.9790866  0.00   -0.0005662    0.0071703    0.0053712
 H   -4.8629525   -1.7010102   -0.6610565  0.00   -0.0069873   -0.0009916    0.0076674
 C   -6.8213698   -1.6579691   -0.5505411  0.00   -0.0089328    0.0236089   -0.0215426
 O   -6.9943618   -2.6239994    0.1441551  0.00   -0.0004219   -0.0130668    0.0114551
 C   -8.0235962   -0.8555392   -1.0957915  0.00   -0.0041921   -0.0124285    0.0125875
 F   -7.8627871    0.4610846   -0.9101566  0.00   -0.0011824    0.0027593    0.0001382
 F   -8.1658402   -1.0636327   -2.4035505  0.00   -0.0000113    0.0046632   -0.0138018
 F   -9.1519229   -1.2135646   -0.4955417  0.00   -0.0018662    0.0044389    0.0053555
 O   -2.9323777   -0.7409937    1.0052791  0.00    0.0051818   -0.0167539   -0.0058626
 C   -2.8953409   -1.8593674    0.4753606  0.00    0.0156802   -0.0236909    0.0182887
 O   -3.6975229   -2.4170831   -0.2982280  0.00    0.0195422   -0.0037900    0.0013104
 C   -1.6370651   -2.6870152    0.8379606  0.00   -0.0042432    0.0085545    0.0047024
 F   -1.5685633   -2.9028775    2.1538969  0.00    0.0032304    0.0004185    0.0004342
 F   -1.6004209   -3.8736332    0.2336864  0.00    0.0056077    0.0001043    0.0020587
 F   -0.5261295   -2.0220567    0.4830779  0.00   -0.0033841   -0.0097823    0.0042340
78
 Energy =   -2041.3852689315
 C    8.2617053   -1.5121216   -0.2960167  0.00    0.0031435   -0.0029307    0.0062521
 C    9.3282454   -2.4480917    0.1766283  0.00    0.0050332    0.0071550    0.0025336
 C   10.3867142   -1.8083407    1.0513530  0.00    0.0118352   -0.0106786    0.0130927
 C   10.8322442   -0.5087756    0.4119069  0.00    0.0062372   -0.0082226    0.0026757
 C    9.6953451    0.5190577    0.2890968  0.00   -0.0016121    0.0028657   -0.0000857
 C   10.1605605    1.5975437   -0.7047499  0.00   -0.0003862    0.0043668    0.0007167
 H    9.5240899    2.4941656   -0.7016958  0.00    0.0002087   -0.0118023    0.0032152
 H   10.1950527    1.2071709   -1.7338368  0.00   -0.0020896    0.0007245    0.0021031
 H   11.1789152    1.9204300   -0.4360091  0.00   -0.0095872    0.0038269    0.0009786
 C    9.4497441    1.1824859    1.6572376  0.00   -0.0009465    0.0031044    0.0026985
 H    8.6483230    1.9335668    1.6010176  0.00   -0.0138211   -0.0062497    0.0001474
 H   10.3651162    1.6933524    1.9958337  0.00    0.0011792   -0.0005219   -0.0011403
 H    9.1689738    0.4469364    2.4261015  0.00   -0.0049785    0.0075400   -0.0088367
 H   11.2274944   -0.7316569   -0.5950680  0.00    0.0084321    0.0002217   -0.0081486
 H   11.6623654   -0.0477856    0.9747601  0.00   -0.0255368   -0.0142221   -0.0189853
 H    9.9846693   -1.6246615    2.0613923  0.00   -0.0040247    0.0048195    0.0042065
 H   11.2375903   -2.4954254    1.1771674  0.00    0.0013159    0.0016649    0.0036873
 H    8.8474616   -3.3089048    0.6770363  0.00   -0.0047660    0.0039003    0.0097069
 H    9.7991153   -2.8982725   -0.7219984  0.00   -0.0053249   -0.0014825   -0.0077781
 C    7.1025499   -2.1996186   -0.9366619  0.00   -0.0038253   -0.0115464   -0.0056733
 H    6.5360278   -1.5577760   -1.6224553  0.00   -0.0001749    0.0077596    0.0031282
 H    6.4062782   -2.5917873   -0.1697273  0.00   -0.0030278    0.0097503   -0.0159301
 H    7.4589873   -3.0848110   -1.4898184  0.00   -0.0015513    0.0032217   -0.0037019
 C    8.3837351   -0.1338131   -0.1833367  0.00   -0.0006399    0.0117557   -0.0025912
 C    7.3144412    0.7888109   -0.5052835  0.00    0.0007236    0.0042501    0.0106634
 H    7.6335778    1.7797719   -0.8370723  0.00   -0.0013039    0.0045842   -0.0038335
 C    5.9629872    0.6066454   -0.3411445  0.00   -0.0005469   -0.0032352    0.0009344
 H    5.5996958   -0.3264986    0.1015337  0.00    0.0054984    0.0093056   -0.0040526
 C    4.9454672    1.5824232   -0.6619257  0.00   -0.0017451   -0.0111983    0.0081855
 C    5.3589270    2.8821360   -1.2766433  0.00    0.0242507    0.0032617   -0.0133871
 H    4.5082592    3.5376359   -1.4935666  0.00   -0.0137353   -0.0020598   -0.0054152
 H    5.8977532    2.7148673   -2.2249196  0.00   -0.0025315    0.0024821    0.0133144
 H    6.0434590    3.4357576   -0.6119489  0.00    0.0019476    0.0019440   -0.0008997
 C    3.6341328    1.2515708   -0.3907064  0.00    0.0019967   -0.0097861   -0.0036485
 H    3.4534632    0.2635527    0.0509770  0.00    0.0059937    0.0001252    0.0066437
 C    2.4638037    2.0492786   -0.6184124  0.00   -0.0008804    0.0063415   -0.0011465
 H    2.5924934    3.0412359   -1.0566588  0.00    0.0029443    0.0043765   -0.0070441
 C    1.1986037    1.6192627   -0.3069419  0.00    0.0036907   -0.0023826    0.0070376
 H    1.0807423    0.6168133    0.1216429  0.00    0.0044984   -0.0047444    0.0001673
 C   -0.0167012    2.3707202   -0.4897194  0.00   -0.0003786   -0.0048438   -0.0002440
 C    0.0709747    3.7436551   -1.0751944  0.00   -0.0000722    0.0047921    0.0032905
 H   -0.9069659    4.2299968   -1.1754132  0.00    0.0112927    0.0033015   -0.0022923
 H    0.5328767    3.7151433   -2.0759107  0.00    0.0030167   -0.0008620   -0.0034039
 H    0.7078466    4.3960740   -0.4535940  0.00   -0.0024365   -0.0007222   -0.0056720
 C   -1.2095281    1.7707750   -0.1081972  0.00   -0.0051131    0.0033241   -0.0001132
 H   -1.1732429    0.7580112    0.3064155  0.00   -0.0007822    0.0013821    0.0023835
 C   -2.4947487    2.3443272   -0.2068308  0.00   -0.0138469    0.0059522   -0.0009906
 H   -2.6282395    3.3562495   -0.6039137  0.00    0.0000413    0.0059890   -0.0012171
 N   -3.5965088    1.7165946    0.1533803  0.00    0.0004656   -0.0260435   -0.0013201
 H   -3.4929548    0.7345612    0.5066467  0.00    0.0035427   -0.0049617   -0.0029815
 C   -4.9272829    2.2664849    0.0830022  0.00    0.0043458   -0.0018658    0.0040642
 H   -4.9023885    3.1835796   -0.5275667  0.00   -0.0028559   -0.0027253   -0.0052872
 H   -5.5684248    1.5368365   -0.4393154  0.00   -0.0025844    0.0032572   -0.0048819
 C   -5.5145058    2.5631995    1.4624719  0.00    0.0022792   -0.0079544   -0.0029896
 H   -5.4913367    1.6388936    2.0658792  0.00    0.0019694   -0.0022287   -0.0052206
 H   -4.8632982    3.2862698    1.9843354  0.00    0.0034630    0.0066446   -0.0000655
 C   -6.9407228    3.0936839    1.3876838  0.00   -0.0047169   -0.0012163    0.0010200
 H   -6.9576244    4.0105164    0.7727959  0.00   -0.0002977    0.0003030   -0.0085889
 H   -7.5668328    2.3611445    0.8511738  0.00   -0.0021798    0.0047648    0.0009414
 C   -7.5454140    3.3848006    2.7518781  0.00   -0.0092941   -0.0124904    0.0021929
 H   -8.5841088    3.7374962    2.6638857  0.00    0.0084450    0.0056273   -0.0005618
 H   -7.5602193    2.4821842    3.3830378  0.00    0.0004823   -0.0047958    0.0035593
 H   -6.9731439    4.1543163    3.2939658  0.00    0.0025459    0.0063575    0.0005918
 O   -5.7057735   -1.1461783   -0.9781839  0.00   -0.0018293    0.0032365    0.0081430
 H   -4.8607359   -1.6999817   -0.6598500  0.00   -0.0070131   -0.0022330    0.0053033
 C   -6.8193232   -1.6566382   -0.5507555  0.00   -0.0234532    0.0004328   -0.0000131
 O   -6.9933384   -2.6233819    0.1441483  0.00    0.0085047    0.0159997   -0.0111234
 C   -8.0234033   -0.8545359   -1.0947311  0.00   -0.0033101   -0.0026114   -0.0088507
 F   -7.8653225    0.4628089   -0.9089138  0.00    0.0055248   -0.0066242    0.0020981
 F   -8.1669577   -1.0611511   -2.4035496  0.00    0.0061980    0.0029600    0.0037345
 F   -9.1509576   -1.2139433   -0.4946153  0.00   -0.0009494   -0.0004198    0.0087870
 O   -2.9279527   -0.7417041    1.0037907  0.00    0.0028970   -0.0041547    0.0023813
 C   -2.8912605   -1.8606635    0.4758920  0.00    0.0078237   -0.0281779    0.0030279
 O   -3.6931961   -2.4183135   -0.2981609  0.00    0.0129749   -0.0013591    0.0030751
 C   -1.6336260   -2.6871425    0.8392992  0.00    0.0109144    0.0007731    0.0076289
 F   -1.5648302   -2.9016955    2.1553698  0.00   -0.0000192   -0.0010136    0.0036528
 F   -1.5945682   -3.8740526    0.2359914  0.00   -0.0013672   -0.0040449    0.0014022
 F   -0.5228569   -2.0222714    0.4843219  0.00    0.0001365   -0.0020762    0.0022857
78
 Energy =   -2041.3853116264
 C    8.2576574   -1.5118118   -0.2964429  0.00   -0.0081540    0.0066303   -0.0007647
 C    9.3234947   -2.4467233    0.1769977  0.00    0.0112645   -0.0082707    0.0064306
 C   10.3828439   -1.8084193    1.0518001  0.00    0.0080954    0.0058823    0.0156806
 C   10.8290147   -0.5089494    0.4124230  0.00    0.0108621   -0.0086600   -0.0095364
 C    9.6924605    0.5191715    0.2888712  0.00   -0.0000172    0.0025084   -0.0032982
 C   10.1571274    1.5983878   -0.7048906  0.00    0.0083783   -0.0116657    0.0116375
 H    9.5201366    2.4937140   -0.6990608  0.00   -0.0030971   -0.0000218    0.0006427
 H   10.1888016    1.2078554   -1.7337321  0.00    0.0016460    0.0028254   -0.0023483
 H   11.1762804    1.9202204   -0.4361283  0.00   -0.0167148    0.0035809   -0.0043280
 C    9.4457480    1.1829656    1.6566136  0.00    0.0076878   -0.0007993   -0.0074665
 H    8.6447531    1.9337355    1.5977376  0.00   -0.0176458   -0.0023032    0.0048188
 H   10.3610684    1.6930918    1.9965581  0.00   -0.0001477    0.0001348   -0.0014727
 H    9.1642071    0.4464887    2.4234023  0.00   -0.0095115    0.0050564    0.0016372
 H   11.2261705   -0.7323638   -0.5939443  0.00    0.0020184    0.0010376   -0.0083648
 H   11.6597030   -0.0475892    0.9734895  0.00   -0.0238337   -0.0131799   -0.0101991
 H    9.9818447   -1.6224311    2.0622538  0.00   -0.0038627   -0.0018589   -0.0012949
 H   11.2330666   -2.4960120    1.1769767  0.00    0.0033210   -0.0010894    0.0051321
 H    8.8419766   -3.3057269    0.6796184  0.00   -0.0051221   -0.0006517    0.0068658
 H    9.7944542   -2.8988401   -0.7209332  0.00   -0.0077254   -0.0014520   -0.0042114
 C    7.0967943   -2.1985184   -0.9372683  0.00    0.0115749   -0.0005484   -0.0067008
 H    6.5307838   -1.5550105   -1.6217477  0.00    0.0001656    0.0087151    0.0008890
 H    6.4002760   -2.5892762   -0.1708787  0.00   -0.0080538    0.0045711   -0.0075555
 H    7.4506852   -3.0835517   -1.4922114  0.00    0.0022226    0.0025618   -0.0015209
 C    8.3807653   -0.1333954   -0.1838577  0.00    0.0031813    0.0051507    0.0029790
 C    7.3120205    0.7894814   -0.5037352  0.00    0.0042424    0.0028618    0.0025451
 H    7.6309618    1.7806897   -0.8349347  0.00   -0.0025763    0.0047118   -0.0032412
 C    5.9609479    0.6058030   -0.3410710  0.00   -0.0013998   -0.0014343    0.0082636
 H    5.5972872   -0.3270467    0.1020427  0.00    0.0075307    0.0096871   -0.0060767
 C    4.9444338    1.5816805   -0.6616309  0.00    0.0045391   -0.0050134    0.0012802
 C    5.3589020    2.8815364   -1.2768263  0.00    0.0000421    0.0019617    0.0072073
 H    4.5065670    3.5348230   -1.4955083  0.00   -0.0065373   -0.0013552   -0.0047865
 H    5.8983639    2.7141845   -2.2232126  0.00    0.0080000   -0.0008034   -0.0032612
 H    6.0413147    3.4364718   -0.6108917  0.00    0.0002663    0.0011849   -0.0025428
 C    3.6335514    1.2500158   -0.3907144  0.00    0.0004788    0.0068013   -0.0080519
 H    3.4543023    0.2627757    0.0514866  0.00    0.0010840   -0.0100259    0.0102691
 C    2.4636600    2.0479569   -0.6187732  0.00   -0.0033033    0.0043331   -0.0001472
 H    2.5931409    3.0397858   -1.0577658  0.00    0.0002563   -0.0002435   -0.0042620
 C    1.1985729    1.6177088   -0.3065323  0.00    0.0140989    0.0070548    0.0011073
 H    1.0817473    0.6152494    0.1218647  0.00    0.0012706   -0.0060094    0.0016906
 C   -0.0160244    2.3697859   -0.4894255  0.00   -0.0002712   -0.0001343    0.0017026
 C    0.0717128    3.7430125   -1.0750662  0.00    0.0087572   -0.0072108   -0.0038729
 H   -0.9055280    4.2298395   -1.1763160  0.00    0.0062923    0.0035844   -0.0026879
 H    0.5346349    3.7125977   -2.0756324  0.00   -0.0002016    0.0025232    0.0009610
 H    0.7085921    4.3952793   -0.4538274  0.00    0.0002842    0.0014987   -0.0031211
 C   -1.2083405    1.7701181   -0.1074754  0.00   -0.0161951    0.0045607   -0.0009867
 H   -1.1725944    0.7575590    0.3074867  0.00   -0.0002440    0.0001465    0.0021393
 C   -2.4935539    2.3438334   -0.2070088  0.00   -0.0091213    0.0089989   -0.0045733
 H   -2.6265656    3.3564151   -0.6036129  0.00   -0.0002233   -0.0000422    0.0020907
 N   -3.5952843    1.7149309    0.1507148  0.00    0.0045002   -0.0215868   -0.0002927
 H   -3.4911899    0.7326217    0.5027675  0.00    0.0026663   -0.0076521   -0.0003240
 C   -4.9253540    2.2656758    0.0822807  0.00   -0.0015155   -0.0105728   -0.0007754
 H   -4.9013849    3.1821594   -0.5291347  0.00   -0.0013738    0.0003296   -0.0023995
 H   -5.5670749    1.5363375   -0.4400342  0.00   -0.0029144    0.0041079   -0.0018946
 C   -5.5113445    2.5616785    1.4623019  0.00   -0.0008560    0.0037776   -0.0013192
 H   -5.4880762    1.6375278    2.0661220  0.00    0.0009779   -0.0015958   -0.0082123
 H   -4.8597851    3.2850174    1.9845754  0.00   -0.0019631    0.0016106   -0.0052593
 C   -6.9378919    3.0925828    1.3864298  0.00   -0.0041651   -0.0052448    0.0045542
 H   -6.9546951    4.0093047    0.7709826  0.00    0.0005298   -0.0026264   -0.0055551
 H   -7.5636121    2.3595898    0.8499533  0.00   -0.0008802    0.0056584    0.0003048
 C   -7.5437812    3.3833201    2.7504310  0.00    0.0079959   -0.0050730    0.0007801
 H   -8.5820700    3.7363938    2.6617343  0.00    0.0054743    0.0043387    0.0017710
 H   -7.5565243    2.4808789    3.3818322  0.00   -0.0042105   -0.0047657    0.0031156
 H   -6.9703727    4.1530806    3.2918640  0.00   -0.0039848    0.0029693   -0.0008726
 O   -5.7037873   -1.1448541   -0.9768010  0.00   -0.0076689    0.0035400    0.0053107
 H   -4.8597895   -1.6994492   -0.6588283  0.00   -0.0067362   -0.0015014    0.0046610
 C   -6.8182175   -1.6555982   -0.5508629  0.00   -0.0100222    0.0013571    0.0015165
 O   -6.9907999   -2.6224914    0.1439108  0.00   -0.0000042    0.0111251   -0.0089181
 C   -8.0229028   -0.8538175   -1.0945772  0.00    0.0065774    0.0000197    0.0019360
 F   -7.8646221    0.4633866   -0.9073627  0.00    0.0028351   -0.0071800    0.0022313
 F   -8.1657588   -1.0587551   -2.4033257  0.00    0.0006712   -0.0005261    0.0007380
 F   -9.1500073   -1.2141408   -0.4936781  0.00    0.0032718    0.0009556    0.0011035
 O   -2.9240091   -0.7421784    1.0024888  0.00    0.0002702    0.0046720    0.0078665
 C   -2.8878997   -1.8618294    0.4761843  0.00    0.0157088   -0.0211474    0.0045262
 O   -3.6892201   -2.4192816   -0.2977343  0.00   -0.0036202   -0.0080075   -0.0064368
 C   -1.6303800   -2.6869782    0.8407111  0.00    0.0039248   -0.0227972    0.0026656
 F   -1.5619440   -2.9010672    2.1567447  0.00    0.0004423   -0.0009416    0.0069154
 F   -1.5908501   -3.8750099    0.2378458  0.00   -0.0017652    0.0053427    0.0069400
 F   -0.5204033   -2.0227257    0.4854462  0.00    0.0126148    0.0056964   -0.0003747
78
 Energy =   -2041.3853483804
 C    8.2544078   -1.5112375   -0.2967895  0.00   -0.0024673    0.0010284   -0.0005441
 C    9.3206202   -2.4460864    0.1774218  0.00   -0.0007606   -0.0108227    0.0164149
 C   10.3805785   -1.8080106    1.0529388  0.00    0.0017298    0.0021092    0.0026491
 C   10.8273004   -0.5092518    0.4123354  0.00   -0.0026456   -0.0083286   -0.0121792
 C    9.6904439    0.5193905    0.2884454  0.00    0.0070623   -0.0068642   -0.0038273
 C   10.1549897    1.5986042   -0.7046699  0.00    0.0046931   -0.0076432    0.0093354
 H    9.5171995    2.4932757   -0.6966690  0.00   -0.0022352    0.0021704   -0.0021008
 H   10.1854136    1.2092542   -1.7338681  0.00    0.0022397    0.0024213   -0.0041132
 H   11.1740016    1.9213255   -0.4368057  0.00   -0.0152414    0.0020037   -0.0030260
 C    9.4430516    1.1832158    1.6557309  0.00    0.0080535   -0.0030296   -0.0015684
 H    8.6419201    1.9338406    1.5972478  0.00   -0.0169405   -0.0011903    0.0020335
 H   10.3582129    1.6931221    1.9968197  0.00   -0.0019971   -0.0017050   -0.0012106
 H    9.1598042    0.4462140    2.4213915  0.00   -0.0069011    0.0059306    0.0039474
 H   11.2258282   -0.7329363   -0.5933521  0.00   -0.0018727   -0.0001997   -0.0106365
 H   11.6570456   -0.0475589    0.9724110  0.00   -0.0112736   -0.0063547    0.0008821
 H    9.9786571   -1.6211502    2.0629093  0.00   -0.0021770   -0.0020706   -0.0022496
 H   11.2300937   -2.4967342    1.1785347  0.00    0.0008477    0.0019198    0.0053487
 H    8.8371248   -3.3033500    0.6821849  0.00    0.0003165    0.0021536    0.0016513
 H    9.7900311   -2.8998543   -0.7202298  0.00   -0.0040934   -0.0034264   -0.0037673
 C    7.0926940   -2.1976644   -0.9380277  0.00    0.0108194    0.0103097   -0.0018527
 H    6.5267768   -1.5522448   -1.6212139  0.00    0.0040648    0.0051631    0.0008553
 H    6.3948429   -2.5870797   -0.1718819  0.00   -0.0034399    0.0034126   -0.0086224
 H    7.4447335   -3.0825935   -1.4942306  0.00    0.0043427    0.0026226    0.0001650
 C    8.3786908   -0.1329655   -0.1840842  0.00    0.0029864    0.0042098    0.0033170
 C    7.3103606    0.7901678   -0.5023876  0.00    0.0027597    0.0006581   -0.0021687
 H    7.6285526    1.7815981   -0.8336380  0.00   -0.0021806    0.0044609   -0.0019180
 C    5.9594475    0.6051019   -0.3406529  0.00    0.0043274    0.0047003    0.0089447
 H    5.5956673   -0.3273923    0.1023747  0.00    0.0071574    0.0055311   -0.0047269
 C    4.9438988    1.5809760   -0.6613929  0.00    0.0054374    0.0048655   -0.0045544
 C    5.3589799    2.8812538   -1.2769135  0.00   -0.0135070   -0.0064419    0.0106803
 H    4.5052251    3.5324332   -1.4976300  0.00   -0.0003966   -0.0007157   -0.0041249
 H    5.9001314    2.7137791   -2.2219778  0.00    0.0091450   -0.0021516   -0.0071315
 H    6.0396770    3.4371301   -0.6104036  0.00    0.0003451    0.0036960    0.0005057
 C    3.6331468    1.2490314   -0.3907938  0.00   -0.0001228    0.0060436   -0.0064284
 H    3.4555680    0.2613632    0.0519831  0.00   -0.0028710   -0.0036306    0.0073534
 C    2.4634177    2.0472521   -0.6191043  0.00    0.0050939   -0.0014368    0.0007815
 H    2.5936346    3.0386517   -1.0588817  0.00   -0.0016967   -0.0004400   -0.0031637
 C    1.1988933    1.6167433   -0.3061965  0.00    0.0089634    0.0021870    0.0026345
 H    1.0826367    0.6136499    0.1221110  0.00    0.0008656    0.0025494   -0.0007769
 C   -0.0154932    2.3690688   -0.4890992  0.00   -0.0024909    0.0017811    0.0009191
 C    0.0725844    3.7422473   -1.0751982  0.00    0.0070772   -0.0041297    0.0002676
 H   -0.9041037    4.2302011   -1.1773737  0.00    0.0059471    0.0002508   -0.0015085
 H    0.5359828    3.7123505   -2.0752064  0.00    0.0020675    0.0000959   -0.0038464
 H    0.7091920    4.3948592   -0.4540594  0.00    0.0009475    0.0006844   -0.0017192
 C   -1.2077953    1.7697949   -0.1069190  0.00   -0.0142934    0.0042964   -0.0019730
 H   -1.1721033    0.7572555    0.3084297  0.00   -0.0012544    0.0022384    0.0009945
 C   -2.4928769    2.3437092   -0.2073279  0.00   -0.0018130    0.0053532   -0.0038616
 H   -2.6253051    3.3566131   -0.6031800  0.00   -0.0019106    0.0000942    0.0025552
 N   -3.5941515    1.7134409    0.1486125  0.00   -0.0017138   -0.0179233   -0.0007476
 H   -3.4894240    0.7306925    0.4996864  0.00    0.0016273   -0.0070573    0.0006481
 C   -4.9239731    2.2649295    0.0816643  0.00   -0.0033003   -0.0143532   -0.0040390
 H   -4.9009740    3.1810895   -0.5304256  0.00    0.0011764    0.0009169    0.0008188
 H   -5.5665281    1.5363363   -0.4406626  0.00   -0.0025884    0.0023962    0.0001127
 C   -5.5089960    2.5606179    1.4620675  0.00   -0.0043139    0.0071324    0.0007245
 H   -5.4854939    1.6364763    2.0662070  0.00    0.0002696    0.0002229   -0.0108806
 H   -4.8574771    3.2841747    1.9846985  0.00   -0.0044487   -0.0007514   -0.0085113
 C   -6.9359480    3.0915513    1.3855864  0.00    0.0030345   -0.0003905    0.0049789
 H   -6.9521856    4.0083157    0.7693475  0.00   -0.0000824   -0.0078019    0.0003344
 H   -7.5612083    2.3587894    0.8490202  0.00   -0.0036198    0.0012617   -0.0025660
 C   -7.5422592    3.3821318    2.7493871  0.00    0.0093284    0.0001303    0.0045150
 H   -8.5803805    3.7358111    2.6606226  0.00    0.0059333    0.0044213    0.0009610
 H   -7.5561272    2.4797256    3.3812881  0.00   -0.0017747   -0.0010850   -0.0000024
 H   -6.9683491    4.1524114    3.2902755  0.00   -0.0076015   -0.0022894   -0.0011113
 O   -5.7026961   -1.1436196   -0.9753380  0.00   -0.0101750    0.0061667    0.0006452
 H   -4.8602137   -1.6991133   -0.6579834  0.00   -0.0030388   -0.0011860    0.0049784
 C   -6.8178439   -1.6548557   -0.5509013  0.00    0.0080101    0.0147842   -0.0065499
 O   -6.9888082   -2.6214471    0.1434710  0.00   -0.0110280   -0.0127516    0.0064888
 C   -8.0222258   -0.8533072   -1.0941252  0.00    0.0093651   -0.0038786   -0.0001127
 F   -7.8629667    0.4631199   -0.9056176  0.00   -0.0004793    0.0016065    0.0030467
 F   -8.1647338   -1.0569790   -2.4031528  0.00   -0.0022547   -0.0011043    0.0029103
 F   -9.1489853   -1.2142817   -0.4929584  0.00    0.0030012    0.0020957   -0.0023811
 O   -2.9209267   -0.7425513    1.0019235  0.00    0.0020929   -0.0040915    0.0036371
 C   -2.8846243   -1.8630192    0.4764770  0.00   -0.0018879   -0.0156881   -0.0013669
 O   -3.6863576   -2.4205814   -0.2975441  0.00    0.0046436   -0.0010424    0.0035005
 C   -1.6276389   -2.6880424    0.8419772  0.00    0.0068193   -0.0004818    0.0073706
 F   -1.5593521   -2.9009157    2.1583394  0.00    0.0013384   -0.0017502    0.0043656
 F   -1.5882398   -3.8753213    0.2399240  0.00    0.0020172   -0.0101452    0.0010083
 F   -0.5176036   -2.0228278    0.4863928  0.00    0.0075338   -0.0015864    0.0022990
78
 Energy =   -2041.3853706166
 C    8.2517812   -1.5107035   -0.2970892  0.00    0.0072372   -0.0064984    0.0042928
 C    9.3182489   -2.4459928    0.1780514  0.00   -0.0063817   -0.0056091    0.0152170
 C   10.3788134   -1.8077181    1.0538138  0.00   -0.0078456   -0.0018776   -0.0054151
 C   10.8257368   -0.5097486    0.4117333  0.00   -0.0071895   -0.0071722   -0.0023929
 C    9.6891779    0.5190200    0.2878023  0.00    0.0051751   -0.0052409    0.0010083
 C   10.1534080    1.5984965   -0.7041989  0.00   -0.0033764    0.0040407   -0.0030818
 H    9.5147567    2.4930083   -0.6959412  0.00    0.0009895   -0.0024199   -0.0010529
 H   10.1840490    1.2112265   -1.7341827  0.00    0.0015239   -0.0008915   -0.0037491
 H   11.1718033    1.9227610   -0.4375042  0.00   -0.0091246    0.0014586    0.0020943
 C    9.4413153    1.1831934    1.6549657  0.00   -0.0082829   -0.0054176    0.0004702
 H    8.6394360    1.9338486    1.5971161  0.00   -0.0093446   -0.0057057   -0.0018048
 H   10.3557133    1.6929526    1.9966906  0.00    0.0046538    0.0003831    0.0022479
 H    9.1558423    0.4461016    2.4199142  0.00   -0.0020044    0.0069321    0.0041844
 H   11.2251721   -0.7333531   -0.5930633  0.00   -0.0019598   -0.0035547   -0.0179957
 H   11.6546688   -0.0476134    0.9715480  0.00   -0.0037286   -0.0029321    0.0060800
 H    9.9756410   -1.6203449    2.0633457  0.00   -0.0001923   -0.0000534   -0.0047626
 H   11.2277549   -2.4968647    1.1812058  0.00    0.0005559    0.0022287    0.0028606
 H    8.8332842   -3.3012449    0.6845446  0.00    0.0008615   -0.0013269    0.0011895
 H    9.7859643   -2.9014955   -0.7197675  0.00   -0.0021290   -0.0027813    0.0004930
 C    7.0896607   -2.1967926   -0.9386318  0.00    0.0059450    0.0141781    0.0026984
 H    6.5240950   -1.5495787   -1.6206164  0.00    0.0061734    0.0023075   -0.0008858
 H    6.3901019   -2.5851647   -0.1728435  0.00    0.0037528    0.0038866   -0.0121966
 H    7.4402957   -3.0818296   -1.4958806  0.00    0.0046854    0.0053823    0.0029494
 C    8.3771908   -0.1325725   -0.1840758  0.00    0.0009299    0.0016249    0.0000195
 C    7.3091476    0.7907502   -0.5014151  0.00    0.0028869   -0.0008791   -0.0045475
 H    7.6263048    1.7823791   -0.8328891  0.00   -0.0002177    0.0045470   -0.0010820
 C    5.9584955    0.6047236   -0.3400105  0.00    0.0060246    0.0093282    0.0073264
 H    5.5945376   -0.3275940    0.1025768  0.00    0.0066167    0.0022782   -0.0026636
 C    4.9436585    1.5805785   -0.6612922  0.00    0.0009181    0.0046097   -0.0037594
 C    5.3587274    2.8807153   -1.2768569  0.00   -0.0043311   -0.0087685   -0.0022966
 H    4.5041137    3.5300899   -1.4996762  0.00    0.0025121    0.0011808   -0.0049504
 H    5.9028879    2.7128041   -2.2212750  0.00   -0.0010866    0.0003664    0.0051463
 H    6.0382936    3.4378741   -0.6100269  0.00   -0.0031570    0.0031101    0.0008238
 C    3.6328586    1.2484434   -0.3909246  0.00    0.0032623   -0.0031428   -0.0018872
 H    3.4559313    0.2602067    0.0524509  0.00   -0.0030452    0.0066187    0.0026636
 C    2.4634499    2.0465879   -0.6193194  0.00    0.0059089   -0.0004769   -0.0005128
 H    2.5937793    3.0376488   -1.0599365  0.00   -0.0024261   -0.0009756   -0.0019094
 C    1.1992885    1.6160208   -0.3058288  0.00    0.0018093    0.0037862    0.0015635
 H    1.0835132    0.6127336    0.1222104  0.00   -0.0003243    0.0036031   -0.0000265
 C   -0.0151926    2.3685777   -0.4887806  0.00   -0.0001859    0.0012909    0.0006502
 C    0.0734682    3.7415415   -1.0753052  0.00    0.0074655   -0.0004148   -0.0021445
 H   -0.9026097    4.2304924   -1.1784066  0.00    0.0038076   -0.0018602   -0.0005243
 H    0.5372002    3.7120032   -2.0752688  0.00    0.0022427   -0.0018242   -0.0023421
 H    0.7096838    4.3946035   -0.4542760  0.00    0.0022241   -0.0002802   -0.0007280
 C   -1.2077077    1.7698090   -0.1065461  0.00   -0.0059048    0.0025685   -0.0028811
 H   -1.1720611    0.7573601    0.3092156  0.00   -0.0022101    0.0031085    0.0002292
 C   -2.4924238    2.3437282   -0.2077595  0.00   -0.0050997    0.0023801   -0.0024118
 H   -2.6249591    3.3569606   -0.6026937  0.00   -0.0020928   -0.0000141    0.0024933
 N   -3.5933919    1.7120258    0.1466723  0.00   -0.0051545   -0.0156615   -0.0002469
 H   -3.4877866    0.7287835    0.4970726  0.00   -0.0000260   -0.0038242    0.0007775
 C   -4.9231577    2.2641557    0.0809530  0.00   -0.0006453   -0.0110638   -0.0022282
 H   -4.9005684    3.1802739   -0.5315142  0.00    0.0027552   -0.0001394    0.0036620
 H   -5.5664771    1.5366068   -0.4412653  0.00   -0.0045603   -0.0021608   -0.0002698
 C   -5.5074864    2.5600185    1.4618990  0.00   -0.0032083    0.0005686   -0.0031237
 H   -5.4834085    1.6356811    2.0660867  0.00   -0.0009724    0.0027897   -0.0127757
 H   -4.8561895    3.2834807    1.9846034  0.00   -0.0024523    0.0012208   -0.0086822
 C   -6.9343481    3.0907577    1.3851041  0.00    0.0009733    0.0002930    0.0037951
 H   -6.9503958    4.0073065    0.7681201  0.00   -0.0003030   -0.0093588    0.0045721
 H   -7.5596090    2.3582351    0.8482521  0.00   -0.0033152    0.0000195   -0.0019469
 C   -7.5407139    3.3811627    2.7489264  0.00    0.0002560    0.0044692   -0.0000921
 H   -8.5787819    3.7358007    2.6601757  0.00    0.0093222    0.0033210   -0.0001410
 H   -7.5564445    2.4787990    3.3808002  0.00    0.0018526   -0.0008189    0.0001121
 H   -6.9667859    4.1517002    3.2890266  0.00   -0.0055073   -0.0025073    0.0031238
 O   -5.7024489   -1.1418396   -0.9741125  0.00    0.0052451   -0.0022113    0.0015287
 H   -4.8613062   -1.6988003   -0.6572536  0.00   -0.0005455    0.0039372    0.0029776
 C   -6.8174761   -1.6540279   -0.5510183  0.00    0.0036696    0.0052127    0.0018731
 O   -6.9885843   -2.6208026    0.1432081  0.00   -0.0074495   -0.0108971    0.0031740
 C   -8.0212242   -0.8530387   -1.0938307  0.00   -0.0012875   -0.0005014    0.0031204
 F   -7.8617983    0.4629437   -0.9033442  0.00   -0.0002719    0.0059209   -0.0010795
 F   -8.1643373   -1.0556445   -2.4028601  0.00   -0.0010232    0.0003622    0.0025848
 F   -9.1478461   -1.2142763   -0.4924143  0.00    0.0025923    0.0006676   -0.0039326
 O   -2.9179650   -0.7432354    1.0021055  0.00    0.0011888   -0.0164668   -0.0034451
 C   -2.8819168   -1.8643747    0.4767655  0.00    0.0017930   -0.0006019    0.0076512
 O   -3.6833870   -2.4216404   -0.2973465  0.00   -0.0032469   -0.0006460    0.0014490
 C   -1.6246487   -2.6889891    0.8433453  0.00    0.0060059    0.0029347    0.0047834
 F   -1.5565256   -2.9011604    2.1599107  0.00    0.0019804   -0.0012119    0.0006782
 F   -1.5848535   -3.8766125    0.2417933  0.00    0.0032222   -0.0079146    0.0024732
 F   -0.5147433   -2.0231602    0.4873741  0.00    0.0033562   -0.0065139    0.0047679
78
 Energy =   -2041.3853901563
 C    8.2506029   -1.5107685   -0.2970593  0.00    0.0042125    0.0029407    0.0065534
 C    9.3163557   -2.4462684    0.1787584  0.00   -0.0004908   -0.0049926    0.0058541
 C   10.3770067   -1.8077767    1.0540560  0.00   -0.0011002   -0.0044441   -0.0043142
 C   10.8241662   -0.5103673    0.4110818  0.00    0.0004567   -0.0049409    0.0056891
 C    9.6885499    0.5183779    0.2874500  0.00   -0.0056867    0.0044613    0.0003800
 C   10.1521474    1.5985684   -0.7039501  0.00   -0.0013725    0.0011966   -0.0138004
 H    9.5131475    2.4926063   -0.6961098  0.00   -0.0018723   -0.0009302    0.0002643
 H   10.1840915    1.2122875   -1.7346554  0.00   -0.0001804   -0.0010334    0.0019425
 H   11.1699223    1.9241086   -0.4375349  0.00   -0.0046925    0.0012671    0.0054665
 C    9.4397168    1.1827850    1.6543988  0.00   -0.0034352   -0.0003796    0.0048196
 H    8.6376781    1.9335120    1.5964839  0.00   -0.0063475   -0.0070459   -0.0039094
 H   10.3542389    1.6926500    1.9969154  0.00   -0.0007130   -0.0026641    0.0007430
 H    9.1531193    0.4461597    2.4192622  0.00   -0.0006241    0.0049701    0.0050834
 H   11.2241235   -0.7336326   -0.5933851  0.00   -0.0021773   -0.0058810   -0.0203004
 H   11.6527785   -0.0477322    0.9710946  0.00   -0.0030482   -0.0047482    0.0055254
 H    9.9735576   -1.6197765    2.0632948  0.00   -0.0016777    0.0021424   -0.0044340
 H   11.2264051   -2.4964316    1.1839532  0.00   -0.0045568    0.0035474   -0.0021279
 H    8.8309848   -3.3000293    0.6862130  0.00   -0.0030066   -0.0085351    0.0040553
 H    9.7828686   -2.9031666   -0.7195352  0.00   -0.0023957   -0.0003192    0.0074792
 C    7.0881210   -2.1959632   -0.9387951  0.00    0.0085058    0.0110847    0.0019555
 H    6.5234487   -1.5475954   -1.6201827  0.00    0.0050350    0.0021514   -0.0040128
 H    6.3876500   -2.5837345   -0.1735789  0.00    0.0045590    0.0030738   -0.0111584
 H    7.4382675   -3.0812781   -1.4963663  0.00    0.0029172    0.0085173    0.0045216
 C    8.3762938   -0.1322943   -0.1839557  0.00    0.0024592   -0.0096318   -0.0036425
 C    7.3084592    0.7910403   -0.5011507  0.00    0.0052586    0.0019270   -0.0047592
 H    7.6248315    1.7829043   -0.8328735  0.00    0.0015208    0.0027205   -0.0005109
 C    5.9581833    0.6049013   -0.3392803  0.00    0.0017388    0.0060999    0.0049133
 H    5.5940305   -0.3276223    0.1026180  0.00    0.0069398    0.0024678   -0.0011300
 C    4.9434512    1.5804482   -0.6612932  0.00   -0.0021462   -0.0031242    0.0008943
 C    5.3583352    2.8797750   -1.2768138  0.00   -0.0001988    0.0083714   -0.0085023
 H    4.5033805    3.5287351   -1.5014286  0.00    0.0077134   -0.0022948   -0.0035765
 H    5.9043576    2.7122577   -2.2205497  0.00   -0.0042044   -0.0003785    0.0081974
 H    6.0371191    3.4384408   -0.6097374  0.00   -0.0079523   -0.0006084   -0.0016359
 C    3.6327337    1.2481086   -0.3910533  0.00    0.0052568   -0.0047115   -0.0001237
 H    3.4551254    0.2601893    0.0527738  0.00   -0.0007931    0.0062771    0.0023688
 C    2.4637009    2.0461067   -0.6194149  0.00   -0.0012542    0.0039203   -0.0026740
 H    2.5934237    3.0369181   -1.0606748  0.00   -0.0009021   -0.0002080   -0.0016243
 C    1.1995740    1.6157985   -0.3055327  0.00   -0.0014421    0.0046630    0.0004035
 H    1.0840747    0.6125581    0.1222279  0.00   -0.0015127    0.0010261    0.0020010
 C   -0.0150782    2.3683309   -0.4885436  0.00    0.0021358    0.0004037    0.0014201
 C    0.0742239    3.7409767   -1.0754643  0.00    0.0085540    0.0015117   -0.0068125
 H   -0.9014453    4.2304629   -1.1791251  0.00    0.0015997   -0.0023307   -0.0007537
 H    0.5380612    3.7106187   -2.0757020  0.00    0.0010305   -0.0007164    0.0027259
 H    0.7100827    4.3944231   -0.4544053  0.00    0.0033320   -0.0015475   -0.0018156
 C   -1.2079177    1.7700109   -0.1064446  0.00    0.0005445    0.0044001   -0.0043553
 H   -1.1726846    0.7578545    0.3096615  0.00   -0.0016713    0.0002904    0.0007533
 C   -2.4923711    2.3438708   -0.2081814  0.00   -0.0118813   -0.0051207    0.0016992
 H   -2.6254479    3.3571930   -0.6021740  0.00   -0.0018903    0.0026540    0.0008523
 N   -3.5931835    1.7109143    0.1454849  0.00   -0.0001857   -0.0141558   -0.0008490
 H   -3.4867158    0.7273815    0.4955868  0.00   -0.0018315    0.0002196    0.0000553
 C   -4.9227377    2.2634658    0.0803918  0.00   -0.0025570   -0.0081350   -0.0010536
 H   -4.8998606    3.1797252   -0.5320448  0.00    0.0026320   -0.0014502    0.0046437
 H   -5.5669560    1.5366824   -0.4416820  0.00   -0.0038928   -0.0032836   -0.0002615
 C   -5.5067889    2.5597050    1.4615848  0.00   -0.0011899   -0.0044539   -0.0061358
 H   -5.4823477    1.6353114    2.0656690  0.00   -0.0014724    0.0029309   -0.0122669
 H   -4.8558391    3.2831683    1.9842313  0.00    0.0007628    0.0032456   -0.0077449
 C   -6.9333953    3.0903121    1.3850295  0.00   -0.0035798   -0.0049007   -0.0011697
 H   -6.9495944    4.0063623    0.7676428  0.00   -0.0000203   -0.0054966    0.0044287
 H   -7.5588987    2.3579698    0.8477551  0.00   -0.0013354    0.0011564    0.0009689
 C   -7.5394946    3.3805874    2.7487281  0.00   -0.0073291    0.0035456   -0.0001440
 H   -8.5773602    3.7363204    2.6600544  0.00    0.0107861    0.0006069   -0.0001341
 H   -7.5556556    2.4781316    3.3806799  0.00    0.0017123    0.0012329   -0.0012253
 H   -6.9658501    4.1509996    3.2885528  0.00   -0.0008994    0.0006545    0.0066121
 O   -5.7021994   -1.1408376   -0.9731887  0.00    0.0116749   -0.0046024    0.0009129
 H   -4.8622479   -1.6983604   -0.6567901  0.00    0.0065511    0.0031823    0.0036637
 C   -6.8171098   -1.6533876   -0.5510752  0.00   -0.0087020   -0.0160526    0.0181217
 O   -6.9894123   -2.6206320    0.1431198  0.00    0.0020327    0.0062344   -0.0101572
 C   -8.0204736   -0.8528572   -1.0936045  0.00   -0.0055303    0.0086767    0.0043594
 F   -7.8610416    0.4632772   -0.9022495  0.00   -0.0002264    0.0031749   -0.0031793
 F   -8.1641939   -1.0548115   -2.4024660  0.00    0.0007820    0.0004436   -0.0012887
 F   -9.1467861   -1.2141920   -0.4921685  0.00   -0.0012793   -0.0006346   -0.0015414
 O   -2.9159475   -0.7444725    1.0023572  0.00    0.0003893   -0.0038159    0.0011395
 C   -2.8800041   -1.8653142    0.4771250  0.00    0.0008380   -0.0161474   -0.0006395
 O   -3.6816276   -2.4223695   -0.2973025  0.00    0.0004232    0.0023822    0.0066892
 C   -1.6220746   -2.6897100    0.8444194  0.00    0.0006176   -0.0063138   -0.0025876
 F   -1.5539441   -2.9016216    2.1609199  0.00    0.0012355   -0.0002021    0.0018195
 F   -1.5815296   -3.8781996    0.2432626  0.00    0.0014918    0.0021852    0.0060051
 F   -0.5124554   -2.0238100    0.4882836  0.00    0.0043956   -0.0053805    0.0042911
78
 Energy =   -2041.3854124629
 C    8.2493443   -1.5106836   -0.2966887  0.00   -0.0065238    0.0062372    0.0044402
 C    9.3135064   -2.4469236    0.1798037  0.00    0.0057782   -0.0066477    0.0017626
 C   10.3744122   -1.8081257    1.0542169  0.00    0.0003062    0.0004682   -0.0005406
 C   10.8220270   -0.5113012    0.4105360  0.00    0.0051569   -0.0003183   -0.0010223
 C    9.6873332    0.5180495    0.2871318  0.00   -0.0105991    0.0051378   -0.0023590
 C   10.1503577    1.5988190   -0.7042346  0.00    0.0051950   -0.0047555   -0.0083797
 H    9.5109482    2.4919111   -0.6959484  0.00   -0.0082889    0.0050553   -0.0011938
 H   10.1836217    1.2130268   -1.7350784  0.00   -0.0006792   -0.0012700    0.0026387
 H   11.1672181    1.9262927   -0.4367631  0.00   -0.0029063   -0.0011023    0.0050233
 C    9.4373139    1.1822849    1.6540608  0.00    0.0046640    0.0042253    0.0012777
 H    8.6352410    1.9327285    1.5942373  0.00   -0.0053313   -0.0048378   -0.0019202
 H   10.3521398    1.6919181    1.9973222  0.00   -0.0069234   -0.0042165    0.0000175
 H    9.1493398    0.4462673    2.4186811  0.00   -0.0006098    0.0018211    0.0068670
 H   11.2223273   -0.7342872   -0.5944494  0.00   -0.0053350   -0.0057955   -0.0119644
 H   11.6500473   -0.0479396    0.9705647  0.00    0.0008954   -0.0068832    0.0063911
 H    9.9703407   -1.6186602    2.0629903  0.00   -0.0016373    0.0024091   -0.0049510
 H   11.2241192   -2.4955978    1.1866310  0.00   -0.0039296   -0.0012882   -0.0049168
 H    8.8273634   -3.2992014    0.6887350  0.00   -0.0043879   -0.0104575    0.0039068
 H    9.7783501   -2.9053757   -0.7189029  0.00   -0.0013049    0.0004973    0.0126657
 C    7.0863837   -2.1945398   -0.9389379  0.00    0.0149107    0.0096411    0.0000268
 H    6.5232014   -1.5448401   -1.6199433  0.00    0.0031393    0.0017640   -0.0078729
 H    6.3851528   -2.5815839   -0.1746687  0.00    0.0006729    0.0011379   -0.0058720
 H    7.4360311   -3.0803886   -1.4960740  0.00    0.0016890    0.0099364    0.0030891
 C    8.3751778   -0.1321718   -0.1841027  0.00    0.0048026   -0.0083941   -0.0043410
 C    7.3076475    0.7915654   -0.5011840  0.00    0.0066082    0.0007915   -0.0028070
 H    7.6232491    1.7837231   -0.8329121  0.00    0.0033936    0.0005131   -0.0005007
 C    5.9577765    0.6053771   -0.3381014  0.00   -0.0003048   -0.0000253   -0.0001980
 H    5.5935124   -0.3276404    0.1026671  0.00    0.0079026    0.0035512    0.0009291
 C    4.9430057    1.5800812   -0.6612425  0.00    0.0001401   -0.0012099    0.0034245
 C    5.3578021    2.8791897   -1.2769156  0.00   -0.0065968    0.0080285   -0.0050568
 H    4.5025897    3.5266222   -1.5042327  0.00    0.0062119    0.0000860   -0.0028023
 H    5.9052105    2.7113692   -2.2190006  0.00    0.0017809   -0.0022271   -0.0010223
 H    6.0347844    3.4391118   -0.6094556  0.00   -0.0064486    0.0014477    0.0011232
 C    3.6326854    1.2474720   -0.3912272  0.00   -0.0012439    0.0060583   -0.0019646
 H    3.4538174    0.2607440    0.0532354  0.00    0.0011965   -0.0035907    0.0058216
 C    2.4639087    2.0456897   -0.6197265  0.00   -0.0059652    0.0015897   -0.0025246
 H    2.5927968    3.0359403   -1.0617494  0.00    0.0018801    0.0042170   -0.0029301
 C    1.1999160    1.6157150   -0.3051519  0.00   -0.0033349   -0.0016225    0.0017183
 H    1.0844782    0.6123074    0.1224132  0.00   -0.0014537    0.0021267    0.0027092
 C   -0.0147905    2.3680071   -0.4881626  0.00    0.0012542    0.0034656    0.0000228
 C    0.0755167    3.7402423   -1.0760227  0.00    0.0039642    0.0017375    0.0000466
 H   -0.8999082    4.2300135   -1.1801842  0.00    0.0003038   -0.0020674   -0.0016957
 H    0.5393230    3.7083735   -2.0759092  0.00    0.0036952    0.0011207   -0.0006864
 H    0.7109220    4.3939601   -0.4545885  0.00    0.0037700   -0.0028926   -0.0044965
 C   -1.2081037    1.7703761   -0.1063964  0.00    0.0027626    0.0044302   -0.0041024
 H   -1.1738960    0.7584548    0.3102962  0.00    0.0005108   -0.0009666    0.0003215
 C   -2.4926558    2.3438840   -0.2086453  0.00   -0.0075438   -0.0071092    0.0028245
 H   -2.6263829    3.3576416   -0.6013524  0.00   -0.0019221    0.0019025    0.0002767
 N   -3.5928681    1.7092661    0.1439371  0.00   -0.0043575   -0.0128377   -0.0008582
 H   -3.4857177    0.7255795    0.4936909  0.00   -0.0021352    0.0019097   -0.0000430
 C   -4.9223069    2.2623941    0.0795682  0.00   -0.0036255   -0.0100623   -0.0018286
 H   -4.8983671    3.1787864   -0.5325409  0.00    0.0007452   -0.0012141    0.0036473
 H   -5.5679548    1.5363610   -0.4421866  0.00    0.0000869   -0.0016751    0.0002260
 C   -5.5057513    2.5590149    1.4607639  0.00   -0.0015085   -0.0014929   -0.0031336
 H   -5.4813460    1.6349293    2.0648595  0.00   -0.0003552   -0.0005310   -0.0097474
 H   -4.8553130    3.2829556    1.9835358  0.00    0.0019112    0.0014940   -0.0091314
 C   -6.9322908    3.0894377    1.3848552  0.00   -0.0033511   -0.0053935   -0.0042244
 H   -6.9484840    4.0049402    0.7672690  0.00   -0.0001275    0.0004183    0.0023617
 H   -7.5578876    2.3576703    0.8471171  0.00   -0.0026309   -0.0014478    0.0020168
 C   -7.5381989    3.3798865    2.7483857  0.00    0.0009341    0.0020332    0.0036102
 H   -8.5751250    3.7370204    2.6596468  0.00    0.0030825   -0.0012210    0.0003039
 H   -7.5535555    2.4772764    3.3803604  0.00   -0.0021826    0.0034664   -0.0023001
 H   -6.9645753    4.1500889    3.2885463  0.00    0.0012838    0.0006396    0.0054499
 O   -5.7010188   -1.1403918   -0.9718479  0.00    0.0011948   -0.0025185   -0.0005529
 H   -4.8617312   -1.6976118   -0.6561246  0.00    0.0091548   -0.0009295    0.0058585
 C   -6.8168236   -1.6528487   -0.5508860  0.00    0.0013344   -0.0138189    0.0191220
 O   -6.9898793   -2.6202125    0.1427585  0.00    0.0025458    0.0026659   -0.0087550
 C   -8.0199447   -0.8521829   -1.0929557  0.00   -0.0001485    0.0152951   -0.0077481
 F   -7.8602618    0.4642705   -0.9021894  0.00   -0.0026713   -0.0021866    0.0006414
 F   -8.1638781   -1.0536390   -2.4020224  0.00    0.0017602   -0.0012233   -0.0004567
 F   -9.1457050   -1.2141986   -0.4918800  0.00   -0.0064205    0.0016506    0.0029479
 O   -2.9132662   -0.7463170    1.0025314  0.00    0.0005600    0.0169600    0.0100341
 C   -2.8775780   -1.8667035    0.4775432  0.00    0.0106969   -0.0313618   -0.0022199
 O   -3.6793746   -2.4229975   -0.2968252  0.00   -0.0015439   -0.0047598    0.0022291
 C   -1.6187691   -2.6910047    0.8456942  0.00    0.0029720   -0.0086458   -0.0004218
 F   -1.5500728   -2.9023304    2.1624277  0.00   -0.0035370    0.0020887    0.0003913
 F   -1.5766998   -3.8801572    0.2457510  0.00   -0.0034065    0.0037277    0.0035145
 F   -0.5089148   -2.0252519    0.4898109  0.00    0.0013732   -0.0022934    0.0018573
78
 Energy =   -2041.3854414540
 C    8.2474493   -1.5103353   -0.2961379  0.00   -0.0055227   -0.0006424    0.0030954
 C    9.3101743   -2.4480028    0.1810989  0.00   -0.0003460   -0.0049109    0.0068285
 C   10.3714159   -1.8082271    1.0544647  0.00    0.0010269   -0.0018493   -0.0011480
 C   10.8199563   -0.5122916    0.4098031  0.00   -0.0019934    0.0068835   -0.0077699
 C    9.6856234    0.5179801    0.2865787  0.00   -0.0047264   -0.0002389   -0.0017548
 C   10.1486152    1.5990026   -0.7048425  0.00    0.0019377   -0.0028758    0.0015705
 H    9.5082954    2.4914530   -0.6967807  0.00   -0.0091218    0.0046006   -0.0021109
 H   10.1829824    1.2134424   -1.7354795  0.00    0.0009015   -0.0026437   -0.0000092
 H   11.1641562    1.9284708   -0.4354217  0.00    0.0008251   -0.0027336    0.0031080
 C    9.4346061    1.1819574    1.6537257  0.00    0.0063182    0.0006133   -0.0032800
 H    8.6323479    1.9317331    1.5911400  0.00   -0.0047464   -0.0004998    0.0020841
 H   10.3494065    1.6909376    1.9982239  0.00   -0.0092647   -0.0027619   -0.0004546
 H    9.1448053    0.4463791    2.4182639  0.00    0.0004272    0.0020893    0.0042398
 H   11.2193501   -0.7354058   -0.5959799  0.00   -0.0053884   -0.0052445   -0.0040334
 H   11.6471605   -0.0482179    0.9699825  0.00    0.0067650   -0.0087316    0.0063189
 H    9.9663254   -1.6172062    2.0625108  0.00    0.0005562    0.0021634   -0.0039344
 H   11.2211166   -2.4952526    1.1881651  0.00   -0.0034321   -0.0038347   -0.0037649
 H    8.8224009   -3.2990417    0.6920270  0.00    0.0008655   -0.0023149   -0.0012335
 H    9.7730263   -2.9080441   -0.7176159  0.00    0.0021705   -0.0010624    0.0128901
 C    7.0846845   -2.1924954   -0.9392409  0.00    0.0087386    0.0065716   -0.0013356
 H    6.5230100   -1.5414612   -1.6202172  0.00    0.0031857   -0.0009411   -0.0097910
 H    6.3821208   -2.5789377   -0.1760734  0.00   -0.0009068    0.0012873   -0.0032583
 H    7.4335043   -3.0792297   -1.4952801  0.00    0.0020367    0.0100803   -0.0004156
 C    8.3741128   -0.1321770   -0.1847002  0.00    0.0028273    0.0025343   -0.0020229
 C    7.3069214    0.7922010   -0.5013736  0.00    0.0054046   -0.0007637   -0.0005552
 H    7.6220361    1.7848297   -0.8327291  0.00    0.0035599   -0.0037056   -0.0002341
 C    5.9572981    0.6058572   -0.3367229  0.00    0.0029571   -0.0032150   -0.0080085
 H    5.5930779   -0.3276938    0.1027924  0.00    0.0083762    0.0039363    0.0034724
 C    4.9426299    1.5796476   -0.6611291  0.00   -0.0005925    0.0064505    0.0051159
 C    5.3570924    2.8788514   -1.2771518  0.00   -0.0092299   -0.0013504   -0.0050304
 H    4.5018624    3.5245209   -1.5080668  0.00    0.0026719    0.0026855   -0.0025850
 H    5.9067449    2.7096355   -2.2172273  0.00    0.0055820   -0.0011324   -0.0063231
 H    6.0314979    3.4401181   -0.6089273  0.00   -0.0025177    0.0052777    0.0047785
 C    3.6325980    1.2470002   -0.3914392  0.00   -0.0084937    0.0089798   -0.0010381
 H    3.4529147    0.2609906    0.0538654  0.00    0.0026218   -0.0067352    0.0065293
 C    2.4639061    2.0452906   -0.6203229  0.00   -0.0049784   -0.0006380   -0.0020891
 H    2.5924154    3.0350804   -1.0632709  0.00    0.0026626    0.0053258   -0.0028097
 C    1.2002755    1.6154401   -0.3046646  0.00   -0.0072652   -0.0017997    0.0007749
 H    1.0846372    0.6121896    0.1228058  0.00   -0.0006465   -0.0000939    0.0047419
 C   -0.0143369    2.3677797   -0.4877078  0.00    0.0003650    0.0055570   -0.0028669
 C    0.0772232    3.7395416   -1.0766447  0.00   -0.0002019   -0.0021742    0.0012014
 H   -0.8980825    4.2289966   -1.1817232  0.00   -0.0019692    0.0006880   -0.0018205
 H    0.5412648    3.7066765   -2.0763565  0.00    0.0046551    0.0012905   -0.0004144
 H    0.7122746    4.3930372   -0.4548880  0.00    0.0050433   -0.0005657   -0.0045679
 C   -1.2081617    1.7709061   -0.1063500  0.00    0.0027825   -0.0002629   -0.0015341
 H   -1.1750231    0.7590254    0.3111258  0.00    0.0028287    0.0015912   -0.0017247
 C   -2.4930846    2.3436391   -0.2090784  0.00   -0.0048356   -0.0026726    0.0013883
 H   -2.6278080    3.3582838   -0.6002846  0.00   -0.0007279   -0.0045772    0.0016854
 N   -3.5928089    1.7071744    0.1419421  0.00   -0.0045294   -0.0093332   -0.0017694
 H   -3.4849556    0.7234831    0.4912637  0.00   -0.0019837    0.0006204    0.0010288
 C   -4.9220000    2.2609834    0.0784293  0.00   -0.0032022   -0.0113576   -0.0009228
 H   -4.8965627    3.1775540   -0.5330975  0.00   -0.0023630   -0.0001343    0.0013537
 H   -5.5691609    1.5357687   -0.4427757  0.00    0.0032062   -0.0005879   -0.0004720
 C   -5.5045716    2.5580961    1.4596702  0.00    0.0000887    0.0038096    0.0015751
 H   -5.4802255    1.6344436    2.0638244  0.00    0.0012511   -0.0050585   -0.0066056
 H   -4.8544318    3.2827038    1.9825950  0.00    0.0004206   -0.0029252   -0.0126130
 C   -6.9310482    3.0881351    1.3844301  0.00   -0.0019928    0.0002819   -0.0008320
 H   -6.9471469    4.0033025    0.7669310  0.00   -0.0006006    0.0056553   -0.0003292
 H   -7.5567279    2.3570964    0.8463980  0.00   -0.0057097   -0.0056991    0.0020534
 C   -7.5366264    3.3791470    2.7481496  0.00    0.0089656    0.0041164   -0.0001484
 H   -8.5725097    3.7375289    2.6590915  0.00   -0.0063416   -0.0002187   -0.0001053
 H   -7.5527868    2.4764892    3.3794131  0.00   -0.0030930   -0.0003602    0.0020276
 H   -6.9630506    4.1491081    3.2890096  0.00    0.0026958   -0.0020430    0.0027708
 O   -5.6995104   -1.1403618   -0.9702699  0.00   -0.0047664    0.0007480   -0.0017568
 H   -4.8595997   -1.6967801   -0.6552227  0.00    0.0030895   -0.0045636    0.0074800
 C   -6.8164438   -1.6524307   -0.5504429  0.00    0.0140536    0.0077676    0.0052555
 O   -6.9902113   -2.6196457    0.1421196  0.00   -0.0023159   -0.0174824    0.0053514
 C   -8.0195740   -0.8508309   -1.0926830  0.00    0.0055979    0.0050987   -0.0034146
 F   -7.8603972    0.4653800   -0.9017777  0.00   -0.0026792    0.0002328    0.0017323
 F   -8.1632449   -1.0523923   -2.4015911  0.00    0.0004619   -0.0007375   -0.0037360
 F   -9.1450769   -1.2140410   -0.4914572  0.00   -0.0051760    0.0052802    0.0009759
 O   -2.9098590   -0.7477896    1.0032293  0.00    0.0037101   -0.0006896    0.0002180
 C   -2.8739797   -1.8687778    0.4780312  0.00    0.0014690   -0.0146403    0.0018298
 O   -3.6769570   -2.4243458   -0.2961203  0.00    0.0114248   -0.0021626    0.0092600
 C   -1.6146912   -2.6928291    0.8473196  0.00   -0.0078371   -0.0009684    0.0008380
 F   -1.5469083   -2.9026302    2.1642403  0.00   -0.0040290    0.0013924    0.0041651
 F   -1.5723347   -3.8823263    0.2490122  0.00   -0.0036486   -0.0035711   -0.0020162
 F   -0.5047530   -2.0274988    0.4918483  0.00    0.0037069    0.0004661   -0.0011449
78
 Energy =   -2041.3854624765
 C    8.2456649   -1.5101894   -0.2956208  0.00    0.0057658   -0.0016624    0.0039356
 C    9.3074956   -2.4491057    0.1822570  0.00   -0.0068593   -0.0000407    0.0090981
 C   10.3691339   -1.8084484    1.0545042  0.00   -0.0027087    0.0024570   -0.0041429
 C   10.8182971   -0.5128165    0.4088791  0.00   -0.0055428    0.0077246   -0.0008832
 C    9.6842733    0.5178708    0.2860001  0.00   -0.0005833   -0.0005888    0.0001440
 C   10.1473392    1.5990705   -0.7053268  0.00   -0.0026615    0.0005700    0.0006322
 H    9.5061498    2.4914916   -0.6991193  0.00   -0.0048865   -0.0023447   -0.0007830
 H   10.1836971    1.2129419   -1.7358593  0.00    0.0011599   -0.0018280    0.0026774
 H   11.1618930    1.9294046   -0.4340527  0.00    0.0040579   -0.0013277    0.0022431
 C    9.4327490    1.1816528    1.6532364  0.00   -0.0052691   -0.0058488   -0.0004131
 H    8.6300588    1.9310144    1.5894746  0.00   -0.0018010    0.0003038    0.0032686
 H   10.3467562    1.6900255    1.9992511  0.00   -0.0030932    0.0017860   -0.0003234
 H    9.1414574    0.4464914    2.4182476  0.00    0.0026185    0.0045115   -0.0024140
 H   11.2157979   -0.7365342   -0.5973393  0.00   -0.0005385   -0.0048687   -0.0041561
 H   11.6454033   -0.0485094    0.9696250  0.00    0.0055184   -0.0127883    0.0004271
 H    9.9634757   -1.6159352    2.0619793  0.00    0.0031465    0.0007467   -0.0022520
 H   11.2183293   -2.4954619    1.1880092  0.00    0.0018112   -0.0071298    0.0000891
 H    8.8186683   -3.2993926    0.6944722  0.00    0.0043673    0.0040737   -0.0039253
 H    9.7693445   -2.9105176   -0.7160770  0.00    0.0034999   -0.0015271    0.0114203
 C    7.0836190   -2.1906616   -0.9395321  0.00   -0.0044762   -0.0025158   -0.0038485
 H    6.5232716   -1.5389955   -1.6210928  0.00    0.0033338   -0.0026190   -0.0096341
 H    6.3796154   -2.5768558   -0.1772244  0.00    0.0004719    0.0031592   -0.0050414
 H    7.4318544   -3.0782148   -1.4946965  0.00    0.0020426    0.0110085   -0.0017518
 C    8.3734889   -0.1321277   -0.1854143  0.00   -0.0016896    0.0043321    0.0013714
 C    7.3066005    0.7926194   -0.5016155  0.00    0.0027745    0.0007088   -0.0006739
 H    7.6217530    1.7855893   -0.8325578  0.00    0.0019475   -0.0075840    0.0002343
 C    5.9570880    0.6061222   -0.3359791  0.00    0.0031919   -0.0013491   -0.0128554
 H    5.5929647   -0.3277224    0.1029567  0.00    0.0085804    0.0046490    0.0045014
 C    4.9423000    1.5795857   -0.6609779  0.00   -0.0034629    0.0067366    0.0065410
 C    5.3562788    2.8784608   -1.2774421  0.00    0.0005025    0.0013165   -0.0107519
 H    4.5014519    3.5236368   -1.5114053  0.00    0.0020553    0.0003002   -0.0023584
 H    5.9088303    2.7081189   -2.2161682  0.00    0.0017586    0.0017752   -0.0001051
 H    6.0285881    3.4412228   -0.6080621  0.00   -0.0032200    0.0039794    0.0024798
 C    3.6322856    1.2470289   -0.3915894  0.00   -0.0074744   -0.0022489    0.0038682
 H    3.4530158    0.2607035    0.0544223  0.00    0.0024364    0.0009909    0.0031638
 C    2.4636690    2.0450015   -0.6209717  0.00   -0.0031041    0.0023919   -0.0025206
 H    2.5925325    3.0347464   -1.0646161  0.00    0.0006900    0.0005951   -0.0005411
 C    1.2003629    1.6151548   -0.3042837  0.00   -0.0087418    0.0008476   -0.0011173
 H    1.0845792    0.6121228    0.1233891  0.00    0.0000582   -0.0013091    0.0058012
 C   -0.0139355    2.3678345   -0.4874954  0.00   -0.0025572    0.0016523   -0.0037052
 C    0.0785944    3.7389361   -1.0771435  0.00   -0.0030905    0.0022272    0.0014905
 H   -0.8967521    4.2281958   -1.1831654  0.00   -0.0011699    0.0020728   -0.0008797
 H    0.5431365    3.7062553   -2.0765943  0.00    0.0049918   -0.0008003   -0.0007470
 H    0.7137149    4.3922560   -0.4551878  0.00    0.0032702    0.0001909   -0.0049314
 C   -1.2081013    1.7713094   -0.1063362  0.00    0.0014157    0.0005081   -0.0008741
 H   -1.1751386    0.7596516    0.3116820  0.00    0.0034193    0.0008017   -0.0021488
 C   -2.4934988    2.3432821   -0.2093473  0.00   -0.0019672   -0.0042860    0.0015031
 H   -2.6291500    3.3583152   -0.5992656  0.00    0.0002833   -0.0046345    0.0008524
 N   -3.5930429    1.7054503    0.1401143  0.00   -0.0021968   -0.0075352   -0.0006559
 H   -3.4848189    0.7219021    0.4894285  0.00   -0.0007978   -0.0011087    0.0015268
 C   -4.9220269    2.2597086    0.0774946  0.00    0.0000500   -0.0057204    0.0006552
 H   -4.8956421    3.1766033   -0.5335022  0.00   -0.0044195   -0.0009319   -0.0001957
 H   -5.5698826    1.5351742   -0.4432858  0.00    0.0015373   -0.0024301   -0.0024849
 C   -5.5037596    2.5575389    1.4589044  0.00    0.0016729   -0.0004341    0.0011981
 H   -5.4791323    1.6338737    2.0629032  0.00    0.0013593   -0.0054867   -0.0047195
 H   -4.8535926    3.2822984    1.9815724  0.00    0.0008321   -0.0032204   -0.0132625
 C   -6.9301474    3.0871249    1.3840655  0.00   -0.0028192    0.0019378    0.0001689
 H   -6.9465087    4.0021852    0.7666807  0.00   -0.0004715    0.0077607   -0.0020437
 H   -7.5561111    2.3561968    0.8459805  0.00   -0.0048718   -0.0047997    0.0045144
 C   -7.5349952    3.3786997    2.7478879  0.00   -0.0010266    0.0013172    0.0026061
 H   -8.5706528    3.7378176    2.6587561  0.00   -0.0063274    0.0011889   -0.0013828
 H   -7.5539770    2.4758777    3.3790224  0.00    0.0009457    0.0006612    0.0012231
 H   -6.9618315    4.1482525    3.2897580  0.00    0.0052932   -0.0034229    0.0010105
 O   -5.6984436   -1.1403178   -0.9692447  0.00    0.0039097   -0.0008943    0.0005372
 H   -4.8576891   -1.6963394   -0.6544216  0.00   -0.0039658   -0.0048918    0.0068619
 C   -6.8157502   -1.6519995   -0.5500159  0.00    0.0055238    0.0069289    0.0053502
 O   -6.9908946   -2.6196363    0.1417090  0.00    0.0013409   -0.0137637    0.0032980
 C   -8.0191056   -0.8495924   -1.0925441  0.00    0.0024882   -0.0061468    0.0038633
 F   -7.8613153    0.4663063   -0.9010684  0.00    0.0021835    0.0053998   -0.0003180
 F   -8.1625112   -1.0515295   -2.4014134  0.00    0.0003437    0.0012326   -0.0028754
 F   -9.1448619   -1.2132707   -0.4911357  0.00    0.0005583    0.0046587   -0.0034239
 O   -2.9064236   -0.7490816    1.0037811  0.00    0.0028696   -0.0125444   -0.0080708
 C   -2.8709343   -1.8706022    0.4784836  0.00    0.0008853    0.0071732    0.0099354
 O   -3.6744511   -2.4257013   -0.2952015  0.00    0.0065550   -0.0019254    0.0052031
 C   -1.6121773   -2.6943949    0.8485628  0.00   -0.0033508    0.0069277    0.0043703
 F   -1.5460432   -2.9024081    2.1660144  0.00   -0.0006437   -0.0007459   -0.0004171
 F   -1.5704820   -3.8842571    0.2514709  0.00    0.0005946   -0.0051592   -0.0020577
 F   -0.5011963   -2.0293408    0.4934003  0.00   -0.0072117   -0.0084662    0.0014486
78
 Energy =   -2041.3854777162
 C    8.2444006   -1.5100185   -0.2950139  0.00    0.0047497   -0.0029630   -0.0000214
 C    9.3049375   -2.4499726    0.1833700  0.00    0.0006118    0.0095070    0.0034445
 C   10.3670116   -1.8085711    1.0542995  0.00    0.0060348   -0.0017055   -0.0037706
 C   10.8164493   -0.5130784    0.4080570  0.00    0.0008024    0.0040225    0.0026727
 C    9.6830015    0.5177758    0.2855442  0.00   -0.0020158    0.0009628    0.0015835
 C   10.1460260    1.5989856   -0.7057203  0.00   -0.0003805    0.0039572    0.0017740
 H    9.5042671    2.4914114   -0.7014981  0.00   -0.0017321   -0.0075587    0.0002744
 H   10.1849186    1.2119508   -1.7358453  0.00    0.0001039   -0.0013679    0.0029388
 H   11.1599873    1.9297138   -0.4326474  0.00    0.0037902    0.0002980    0.0011176
 C    9.4309086    1.1810526    1.6528026  0.00   -0.0100436   -0.0022630    0.0018370
 H    8.6280851    1.9304140    1.5893064  0.00   -0.0003868    0.0000938    0.0015644
 H   10.3442162    1.6893051    1.9998930  0.00    0.0017945    0.0042081   -0.0002430
 H    9.1389089    0.4466265    2.4181302  0.00    0.0027483    0.0008348   -0.0034070
 H   11.2126036   -0.7375954   -0.5986059  0.00    0.0019330   -0.0028554   -0.0017645
 H   11.6438735   -0.0489178    0.9693385  0.00    0.0018735   -0.0166200   -0.0060048
 H    9.9619463   -1.6146271    2.0614120  0.00    0.0017116   -0.0004288    0.0026325
 H   11.2160674   -2.4964124    1.1879762  0.00   -0.0022412   -0.0009027    0.0002785
 H    8.8162443   -3.2994355    0.6961043  0.00   -0.0000762    0.0002763    0.0002214
 H    9.7667270   -2.9127297   -0.7144693  0.00    0.0017501    0.0004921    0.0118459
 C    7.0826576   -2.1892615   -0.9398638  0.00   -0.0072132   -0.0080415   -0.0054018
 H    6.5240427   -1.5372322   -1.6223678  0.00    0.0013390   -0.0022339   -0.0096357
 H    6.3776232   -2.5749164   -0.1781656  0.00   -0.0000925    0.0034413   -0.0063713
 H    7.4308615   -3.0772080   -1.4945512  0.00    0.0012561    0.0113482   -0.0012305
 C    8.3728134   -0.1319701   -0.1858325  0.00   -0.0032806    0.0022893    0.0033174
 C    7.3063586    0.7930503   -0.5018627  0.00   -0.0010364   -0.0013433   -0.0015895
 H    7.6218002    1.7859109   -0.8325440  0.00    0.0011264   -0.0065624   -0.0004513
 C    5.9569518    0.6063019   -0.3359508  0.00   -0.0006156    0.0014734   -0.0122860
 H    5.5930775   -0.3276656    0.1031340  0.00    0.0089662    0.0060594    0.0037384
 C    4.9417431    1.5797226   -0.6607183  0.00   -0.0018771    0.0053084    0.0035365
 C    5.3555595    2.8783219   -1.2778167  0.00    0.0096434    0.0008307   -0.0124348
 H    4.5011192    3.5228210   -1.5143151  0.00   -0.0006397    0.0007408   -0.0029254
 H    5.9108608    2.7074883   -2.2153294  0.00   -0.0020643    0.0029899    0.0057761
 H    6.0258934    3.4422190   -0.6071181  0.00   -0.0040855    0.0031762    0.0001190
 C    3.6317596    1.2469807   -0.3916657  0.00   -0.0026773   -0.0062400    0.0060175
 H    3.4535966    0.2604715    0.0549094  0.00   -0.0002713    0.0048413    0.0015109
 C    2.4632930    2.0449134   -0.6216321  0.00   -0.0026602   -0.0000875   -0.0000681
 H    2.5927541    3.0345221   -1.0657189  0.00   -0.0011890   -0.0018649    0.0004105
 C    1.2002063    1.6149996   -0.3040043  0.00   -0.0063220   -0.0013014   -0.0015709
 H    1.0846329    0.6118559    0.1241958  0.00    0.0005135    0.0035382    0.0039366
 C   -0.0137365    2.3678845   -0.4875242  0.00   -0.0060405    0.0002047   -0.0024417
 C    0.0795723    3.7385142   -1.0774719  0.00   -0.0020315    0.0060699   -0.0046345
 H   -0.8957306    4.2279951   -1.1844419  0.00    0.0012752    0.0017779   -0.0001724
 H    0.5450049    3.7052982   -2.0768878  0.00    0.0019263   -0.0006859    0.0040036
 H    0.7150831    4.3915896   -0.4554786  0.00    0.0010447    0.0001584   -0.0055896
 C   -1.2080327    1.7716454   -0.1063666  0.00    0.0001831   -0.0007057    0.0002320
 H   -1.1744255    0.7601749    0.3119981  0.00    0.0021119    0.0000429   -0.0023920
 C   -2.4938666    2.3428133   -0.2094546  0.00    0.0023471   -0.0085151    0.0019830
 H   -2.6301949    3.3578525   -0.5983784  0.00    0.0004663   -0.0002814   -0.0013860
 N   -3.5932469    1.7039467    0.1386456  0.00   -0.0005871   -0.0074917    0.0021726
 H   -3.4847907    0.7205743    0.4882622  0.00    0.0003712   -0.0014899    0.0007765
 C   -4.9219932    2.2585496    0.0768446  0.00   -0.0001268   -0.0015081   -0.0005353
 H   -4.8955900    3.1757133   -0.5337723  0.00   -0.0041004   -0.0018971   -0.0016087
 H   -5.5701786    1.5344063   -0.4437715  0.00   -0.0001772   -0.0032980   -0.0028502
 C   -5.5029860    2.5570659    1.4583534  0.00    0.0003854   -0.0075183   -0.0013571
 H   -5.4778304    1.6331029    2.0619948  0.00    0.0003948   -0.0034688   -0.0031134
 H   -4.8526056    3.2817967    1.9803646  0.00    0.0022479   -0.0013858   -0.0115589
 C   -6.9294401    3.0863488    1.3837642  0.00   -0.0037877    0.0023039    0.0010040
 H   -6.9462716    4.0014775    0.7662903  0.00    0.0000605    0.0060179   -0.0014239
 H   -7.5557802    2.3551371    0.8459704  0.00   -0.0022347   -0.0018533    0.0069926
 C   -7.5337038    3.3783035    2.7478296  0.00   -0.0091304   -0.0019240    0.0021268
 H   -8.5692295    3.7381726    2.6581114  0.00   -0.0041954    0.0006653   -0.0002209
 H   -7.5541818    2.4753525    3.3790202  0.00    0.0020521    0.0024253   -0.0007731
 H   -6.9607208    4.1473157    3.2903991  0.00    0.0077318   -0.0021650    0.0002673
 O   -5.6972056   -1.1402545   -0.9684068  0.00    0.0029268   -0.0013781    0.0025528
 H   -4.8568252   -1.6962975   -0.6537009  0.00   -0.0020862   -0.0072782    0.0074103
 C   -6.8148772   -1.6515332   -0.5495854  0.00   -0.0022314   -0.0092544    0.0143952
 O   -6.9911107   -2.6200209    0.1414859  0.00    0.0066902    0.0044427   -0.0084259
 C   -8.0183098   -0.8487827   -1.0922322  0.00   -0.0012885    0.0008224    0.0032037
 F   -7.8610755    0.4675682   -0.9006001  0.00    0.0047995   -0.0024131   -0.0023166
 F   -8.1615505   -1.0506514   -2.4013298  0.00    0.0015156    0.0018445    0.0030105
 F   -9.1444904   -1.2119404   -0.4909688  0.00    0.0059117    0.0027520   -0.0056566
 O   -2.9030930   -0.7504663    1.0036295  0.00   -0.0007687    0.0040950   -0.0026539
 C   -2.8683999   -1.8719194    0.4789996  0.00    0.0008588    0.0006538    0.0035434
 O   -3.6721182   -2.4270531   -0.2942594  0.00   -0.0013481   -0.0009819    0.0013271
 C   -1.6104482   -2.6953753    0.8497016  0.00   -0.0037723   -0.0074296    0.0024446
 F   -1.5458692   -2.9023357    2.1674138  0.00    0.0025051   -0.0025162   -0.0008432
 F   -1.5692263   -3.8862006    0.2532560  0.00    0.0016911    0.0023065    0.0033639
 F   -0.4989998   -2.0316166    0.4946864  0.00   -0.0043711   -0.0068227    0.0015221
78
 Energy =   -2041.3854948696
 C    8.2433641   -1.5100674   -0.2943933  0.00   -0.0044307    0.0064122   -0.0062475
 C    9.3026008   -2.4502454    0.1845451  0.00    0.0065642    0.0066491    0.0005135
 C   10.3653890   -1.8088208    1.0539852  0.00    0.0040524    0.0037103    0.0025450
 C   10.8145859   -0.5132449    0.4072754  0.00    0.0079498   -0.0030112    0.0011202
 C    9.6815197    0.5177696    0.2852527  0.00   -0.0031223    0.0015255    0.0022919
 C   10.1447019    1.5990429   -0.7059619  0.00    0.0046303   -0.0032191    0.0033724
 H    9.5023584    2.4907284   -0.7033674  0.00   -0.0032293   -0.0043485    0.0002320
 H   10.1857359    1.2104756   -1.7355261  0.00   -0.0003832    0.0009803    0.0039324
 H   11.1581349    1.9299979   -0.4311196  0.00    0.0031621    0.0019501   -0.0003567
 C    9.4284161    1.1803980    1.6524827  0.00    0.0065730    0.0071200    0.0024818
 H    8.6261006    1.9297800    1.5898643  0.00   -0.0055832    0.0041568   -0.0018481
 H   10.3417779    1.6889916    2.0001342  0.00   -0.0023804    0.0013778   -0.0017336
 H    9.1365313    0.4467531    2.4177188  0.00    0.0004447   -0.0078502    0.0019900
 H   11.2100630   -0.7387301   -0.5998673  0.00    0.0011698    0.0012037    0.0039605
 H   11.6421824   -0.0495528    0.9689463  0.00    0.0015792   -0.0171919   -0.0094998
 H    9.9608989   -1.6132254    2.0609897  0.00    0.0014477   -0.0024948    0.0038809
 H   11.2135917   -2.4974852    1.1881968  0.00    0.0004837    0.0009475   -0.0003087
 H    8.8138496   -3.2992115    0.6977299  0.00   -0.0022076   -0.0005475    0.0027268
 H    9.7643286   -2.9146227   -0.7125271  0.00    0.0004797    0.0016371    0.0102067
 C    7.0814658   -2.1881397   -0.9404209  0.00   -0.0011028   -0.0073282   -0.0057648
 H    6.5249874   -1.5356393   -1.6241652  0.00   -0.0004575   -0.0019515   -0.0083965
 H    6.3756483   -2.5726637   -0.1791509  0.00   -0.0031096    0.0016030   -0.0066582
 H    7.4300935   -3.0760497   -1.4947107  0.00   -0.0000378    0.0086985   -0.0010550
 C    8.3718751   -0.1317173   -0.1858766  0.00   -0.0027129   -0.0075861    0.0019364
 C    7.3060015    0.7933896   -0.5021609  0.00   -0.0036008   -0.0013302   -0.0039077
 H    7.6220422    1.7860062   -0.8326450  0.00   -0.0000744   -0.0049601   -0.0012401
 C    5.9567172    0.6065165   -0.3365128  0.00   -0.0047629    0.0007962   -0.0060942
 H    5.5934389   -0.3275136    0.1033522  0.00    0.0088435    0.0083970    0.0015287
 C    4.9411147    1.5799638   -0.6603651  0.00   -0.0011449    0.0024673   -0.0036342
 C    5.3551661    2.8781716   -1.2783680  0.00    0.0012585    0.0081897   -0.0040623
 H    4.5006817    3.5221493   -1.5175530  0.00    0.0022459   -0.0028155   -0.0011005
 H    5.9126569    2.7080237   -2.2141709  0.00    0.0016778   -0.0007438    0.0007610
 H    6.0229900    3.4433420   -0.6061147  0.00   -0.0038189    0.0031160   -0.0012155
 C    3.6311449    1.2466347   -0.3916839  0.00    0.0040460    0.0036176    0.0035208
 H    3.4540178    0.2605887    0.0554221  0.00   -0.0036436   -0.0000658    0.0033578
 C    2.4628115    2.0447748   -0.6222464  0.00   -0.0021744   -0.0045017    0.0026674
 H    2.5927880    3.0342032   -1.0668128  0.00   -0.0023625   -0.0039534    0.0010747
 C    1.1999153    1.6147860   -0.3037615  0.00   -0.0035568    0.0017979   -0.0036234
 H    1.0848734    0.6118526    0.1252125  0.00   -0.0004142    0.0047791    0.0031740
 C   -0.0138233    2.3679089   -0.4876908  0.00   -0.0045867    0.0027105   -0.0016830
 C    0.0804270    3.7384120   -1.0779843  0.00   -0.0016482    0.0031813   -0.0014852
 H   -0.8946611    4.2282801   -1.1857421  0.00    0.0026576    0.0018776   -0.0005956
 H    0.5470497    3.7038115   -2.0766551  0.00    0.0009424    0.0010104    0.0011998
 H    0.7165104    4.3909401   -0.4558340  0.00   -0.0012691    0.0002098   -0.0061411
 C   -1.2079787    1.7719022   -0.1063831  0.00   -0.0005279   -0.0034327    0.0014583
 H   -1.1732427    0.7606519    0.3121840  0.00   -0.0000677   -0.0016941   -0.0020410
 C   -2.4941658    2.3420946   -0.2094590  0.00    0.0025858   -0.0077804    0.0012158
 H   -2.6310229    3.3573227   -0.5976542  0.00    0.0006555    0.0001586   -0.0020279
 N   -3.5934301    1.7023502    0.1375521  0.00    0.0029155   -0.0037735    0.0020113
 H   -3.4845747    0.7191198    0.4872704  0.00    0.0004488   -0.0026111    0.0004258
 C   -4.9219033    2.2573686    0.0761914  0.00   -0.0034579   -0.0045839   -0.0016656
 H   -4.8962290    3.1745942   -0.5340787  0.00   -0.0015181   -0.0006429   -0.0041635
 H   -5.5703277    1.5333286   -0.4443280  0.00   -0.0003853   -0.0026690   -0.0018965
 C   -5.5020975    2.5562076    1.4577549  0.00   -0.0035885   -0.0054802   -0.0022739
 H   -5.4763432    1.6320975    2.0610268  0.00   -0.0008230   -0.0028852   -0.0005729
 H   -4.8512425    3.2812157    1.9788720  0.00    0.0012564   -0.0023834   -0.0106558
 C   -6.9288459    3.0857053    1.3834827  0.00   -0.0019893    0.0014662    0.0037346
 H   -6.9459825    4.0009599    0.7657481  0.00    0.0003319    0.0019477    0.0005399
 H   -7.5555293    2.3539610    0.8464791  0.00   -0.0003305    0.0008609    0.0071205
 C   -7.5329483    3.3778295    2.7479112  0.00   -0.0039483   -0.0003215   -0.0031466
 H   -8.5679968    3.7386087    2.6572665  0.00   -0.0057019   -0.0004679    0.0025889
 H   -7.5531076    2.4749209    3.3789282  0.00   -0.0009688    0.0005559   -0.0001864
 H   -6.9595129    4.1462190    3.2908999  0.00    0.0076119   -0.0010156   -0.0011046
 O   -5.6958623   -1.1402850   -0.9673143  0.00    0.0011516    0.0005398    0.0021673
 H   -4.8562100   -1.6967265   -0.6528971  0.00    0.0002497   -0.0084390    0.0079747
 C   -6.8139871   -1.6512007   -0.5489980  0.00   -0.0012332   -0.0127144    0.0131273
 O   -6.9902869   -2.6203351    0.1411280  0.00    0.0040922    0.0059350   -0.0079982
 C   -8.0172687   -0.8479574   -1.0917731  0.00    0.0043636    0.0057414   -0.0033928
 F   -7.8590613    0.4684988   -0.9008225  0.00    0.0037603   -0.0041997    0.0004316
 F   -8.1602498   -1.0494853   -2.4011197  0.00    0.0017503   -0.0007523    0.0059711
 F   -9.1436774   -1.2102218   -0.4909411  0.00    0.0047978    0.0015671   -0.0035942
 O   -2.8999596   -0.7514664    1.0030928  0.00   -0.0020433    0.0150407    0.0019783
 C   -2.8659939   -1.8731676    0.4795434  0.00   -0.0015833   -0.0047333    0.0001397
 O   -3.6698755   -2.4284512   -0.2932134  0.00   -0.0083450   -0.0014931   -0.0025998
 C   -1.6091178   -2.6967897    0.8510186  0.00    0.0033577   -0.0161038    0.0026149
 F   -1.5447440   -2.9030480    2.1687628  0.00    0.0003113   -0.0032313    0.0029120
 F   -1.5674337   -3.8880254    0.2552372  0.00   -0.0031459    0.0002829    0.0035831
 F   -0.4972738   -2.0345414    0.4960125  0.00    0.0027132    0.0018053   -0.0007233
78
 Energy =   -2041.3855127787
 C    8.2420550   -1.5098127   -0.2940675  0.00   -0.0062018    0.0030544   -0.0090817
 C    9.3005846   -2.4501995    0.1858389  0.00    0.0015310    0.0010047    0.0032953
 C   10.3643133   -1.8087329    1.0538735  0.00   -0.0010975    0.0029715    0.0054295
 C   10.8135255   -0.5134432    0.4065691  0.00    0.0007903   -0.0081301   -0.0029391
 C    9.6800349    0.5178453    0.2851308  0.00    0.0054306   -0.0012835    0.0030203
 C   10.1438423    1.5990462   -0.7060278  0.00    0.0052433   -0.0064710    0.0076122
 H    9.5004372    2.4897043   -0.7051472  0.00   -0.0040772   -0.0009426    0.0000834
 H   10.1867413    1.2092797   -1.7348929  0.00    0.0001252    0.0012925    0.0012921
 H   11.1565652    1.9311665   -0.4296150  0.00    0.0015167    0.0014097   -0.0012990
 C    9.4262944    1.1802432    1.6523838  0.00    0.0116094    0.0065749   -0.0005021
 H    8.6240732    1.9293347    1.5897509  0.00   -0.0087069    0.0071474   -0.0032353
 H   10.3393397    1.6891263    2.0000769  0.00   -0.0007134    0.0017780   -0.0000936
 H    9.1341445    0.4467855    2.4173630  0.00    0.0003054   -0.0108322    0.0044905
 H   11.2081486   -0.7399750   -0.6010550  0.00    0.0002843    0.0053072    0.0092750
 H   11.6408447   -0.0504278    0.9683871  0.00    0.0073850   -0.0134012   -0.0087793
 H    9.9604790   -1.6123030    2.0608304  0.00    0.0008893   -0.0020964    0.0064956
 H   11.2112682   -2.4986856    1.1882832  0.00    0.0044271    0.0023803   -0.0007178
 H    8.8110958   -3.2989240    0.6997971  0.00    0.0008793    0.0062013    0.0012133
 H    9.7620996   -2.9164600   -0.7100369  0.00    0.0008064    0.0013049    0.0049919
 C    7.0801455   -2.1871037   -0.9413524  0.00    0.0004805   -0.0019079   -0.0035619
 H    6.5257452   -1.5341374   -1.6266279  0.00   -0.0004145   -0.0034468   -0.0050333
 H    6.3730856   -2.5701735   -0.1803658  0.00   -0.0027374    0.0006274   -0.0100654
 H    7.4292463   -3.0747851   -1.4951483  0.00   -0.0003901    0.0034595   -0.0015523
 C    8.3708583   -0.1316410   -0.1858541  0.00   -0.0019660   -0.0062473   -0.0003756
 C    7.3056501    0.7936108   -0.5027372  0.00   -0.0067065   -0.0005699   -0.0047693
 H    7.6224155    1.7860432   -0.8327253  0.00   -0.0013430   -0.0034128   -0.0023843
 C    5.9563537    0.6067285   -0.3373462  0.00   -0.0035749    0.0011970    0.0002936
 H    5.5941583   -0.3272824    0.1036321  0.00    0.0068275    0.0096911   -0.0006371
 C    4.9405923    1.5803215   -0.6600848  0.00    0.0014865    0.0026757   -0.0121291
 C    5.3549475    2.8785387   -1.2790637  0.00   -0.0059831    0.0010697    0.0031795
 H    4.5003526    3.5209820   -1.5213104  0.00    0.0000757   -0.0011326   -0.0011133
 H    5.9151060    2.7084556   -2.2128788  0.00    0.0042299   -0.0029848   -0.0028136
 H    6.0196440    3.4448881   -0.6051751  0.00   -0.0003995    0.0061422    0.0005281
 C    3.6307356    1.2463959   -0.3916654  0.00    0.0041289    0.0101104    0.0026598
 H    3.4535986    0.2608288    0.0560266  0.00   -0.0031978   -0.0032148    0.0040881
 C    2.4622897    2.0443508   -0.6227651  0.00    0.0001357   -0.0028054    0.0024613
 H    2.5923729    3.0336172   -1.0679881  0.00   -0.0026732   -0.0063491    0.0018603
 C    1.1995597    1.6146027   -0.3036195  0.00   -0.0033252    0.0076302   -0.0052278
 H    1.0849761    0.6123135    0.1264748  0.00   -0.0021755    0.0017317    0.0037135
 C   -0.0140614    2.3681367   -0.4879435  0.00   -0.0003903    0.0037671   -0.0014566
 C    0.0813468    3.7386337   -1.0786140  0.00   -0.0020142   -0.0029642    0.0035214
 H   -0.8933614    4.2289317   -1.1872780  0.00    0.0022293    0.0028464   -0.0010187
 H    0.5494337    3.7030828   -2.0762717  0.00    0.0003980    0.0013294   -0.0038198
 H    0.7179986    4.3903931   -0.4563231  0.00   -0.0027730    0.0016205   -0.0046512
 C   -1.2079271    1.7720297   -0.1063205  0.00    0.0005621   -0.0037687    0.0008975
 H   -1.1720122    0.7610342    0.3123240  0.00   -0.0017171   -0.0045575   -0.0010695
 C   -2.4944383    2.3410998   -0.2094631  0.00    0.0006120   -0.0002985   -0.0016162
 H   -2.6316989    3.3568075   -0.5970593  0.00    0.0012465   -0.0040047   -0.0009048
 N   -3.5936006    1.7006104    0.1364546  0.00    0.0005767    0.0002463    0.0015269
 H   -3.4843428    0.7173043    0.4860244  0.00    0.0000268   -0.0025435    0.0000562
 C   -4.9221898    2.2560720    0.0753275  0.00   -0.0025908   -0.0104720   -0.0025894
 H   -4.8972845    3.1733963   -0.5346557  0.00    0.0012191   -0.0002907   -0.0059001
 H   -5.5707371    1.5319303   -0.4450384  0.00    0.0003600   -0.0016181   -0.0010278
 C   -5.5015507    2.5549957    1.4570148  0.00   -0.0028480    0.0026570   -0.0001231
 H   -5.4750913    1.6309290    2.0600888  0.00   -0.0021671   -0.0034069    0.0017989
 H   -4.8497462    3.2804173    1.9771097  0.00   -0.0027812   -0.0064581   -0.0113832
 C   -6.9283957    3.0851075    1.3833144  0.00   -0.0011315    0.0017623    0.0048061
 H   -6.9455982    4.0005204    0.7652530  0.00    0.0001643   -0.0033382    0.0026652
 H   -7.5553990    2.3527824    0.8475739  0.00   -0.0003737    0.0021773    0.0040185
 C   -7.5326915    3.3774284    2.7477300  0.00    0.0095304    0.0015166    0.0017592
 H   -8.5670999    3.7389818    2.6572738  0.00   -0.0109544    0.0010479    0.0019040
 H   -7.5529491    2.4745445    3.3788040  0.00   -0.0023929    0.0000075   -0.0011467
 H   -6.9582417    4.1450707    3.2914128  0.00    0.0040442   -0.0033506   -0.0045450
 O   -5.6944100   -1.1403406   -0.9659467  0.00   -0.0038177    0.0008679    0.0024160
 H   -4.8556431   -1.6976012   -0.6519161  0.00    0.0017755   -0.0077991    0.0082070
 C   -6.8132677   -1.6510525   -0.5482481  0.00    0.0102796    0.0012013   -0.0019075
 O   -6.9892053   -2.6205241    0.1405484  0.00   -0.0037853   -0.0097459    0.0049716
 C   -8.0159423   -0.8469152   -1.0914245  0.00    0.0099966    0.0018125   -0.0048422
 F   -7.8559440    0.4691338   -0.9008090  0.00    0.0007656    0.0000650    0.0025331
 F   -8.1588436   -1.0483459   -2.4007479  0.00    0.0020929   -0.0019781    0.0046512
 F   -9.1426828   -1.2083463   -0.4910038  0.00    0.0031699    0.0024837   -0.0011778
 O   -2.8969462   -0.7520822    1.0024778  0.00   -0.0003980    0.0066741   -0.0003310
 C   -2.8635541   -1.8746637    0.4801860  0.00   -0.0073328   -0.0008730    0.0000662
 O   -3.6679624   -2.4300678   -0.2921691  0.00   -0.0052047    0.0006952    0.0011510
 C   -1.6073745   -2.6992671    0.8527225  0.00    0.0012053   -0.0051941    0.0036114
 F   -1.5432676   -2.9048343    2.1706225  0.00    0.0000918   -0.0027106    0.0025552
 F   -1.5666826   -3.8904709    0.2577217  0.00   -0.0017569   -0.0058951    0.0003698
 F   -0.4950844   -2.0376425    0.4974680  0.00    0.0022243   -0.0003687    0.0000981
78
 Energy =   -2041.3855382450
 C    8.2405168   -1.5094697   -0.2941741  0.00    0.0038457   -0.0063868   -0.0048499
 C    9.2988399   -2.4500655    0.1873443  0.00   -0.0069591    0.0009584    0.0048751
 C   10.3637072   -1.8085177    1.0539336  0.00   -0.0086824    0.0000822    0.0055121
 C   10.8130115   -0.5138448    0.4058255  0.00   -0.0084731   -0.0084200   -0.0004029
 C    9.6790237    0.5177946    0.2852495  0.00    0.0149651   -0.0055947    0.0019516
 C   10.1436481    1.5986805   -0.7057252  0.00    0.0001697    0.0021154    0.0088625
 H    9.4986126    2.4885387   -0.7071220  0.00   -0.0004665   -0.0042257    0.0003831
 H   10.1890011    1.2083536   -1.7340015  0.00    0.0001888   -0.0007020   -0.0025467
 H   11.1553730    1.9330880   -0.4280496  0.00   -0.0000945   -0.0006165   -0.0002562
 C    9.4249102    1.1804632    1.6522898  0.00    0.0024350    0.0011640    0.0009041
 H    8.6220762    1.9292058    1.5883056  0.00   -0.0050075    0.0042348   -0.0013719
 H   10.3371633    1.6898809    2.0004086  0.00    0.0030762    0.0031843    0.0009634
 H    9.1321947    0.4467290    2.4174064  0.00    0.0022009   -0.0054793    0.0001420
 H   11.2065013   -0.7411406   -0.6021071  0.00    0.0007538    0.0074435    0.0104259
 H   11.6403616   -0.0516367    0.9677126  0.00    0.0111961   -0.0097853   -0.0090575
 H    9.9607852   -1.6118883    2.0610397  0.00    0.0009282   -0.0001770    0.0092081
 H   11.2095732   -2.4995216    1.1877109  0.00    0.0090544    0.0014104    0.0000466
 H    8.8086821   -3.2982679    0.7022071  0.00    0.0025972    0.0108436    0.0007565
 H    9.7604121   -2.9181961   -0.7069647  0.00    0.0013109   -0.0003361   -0.0026242
 C    7.0790507   -2.1861150   -0.9425845  0.00   -0.0045829    0.0010871   -0.0018199
 H    6.5268311   -1.5330929   -1.6298974  0.00   -0.0003615   -0.0041729   -0.0009086
 H    6.3701859   -2.5675807   -0.1818766  0.00    0.0011983    0.0008160   -0.0168914
 H    7.4287448   -3.0734746   -1.4959163  0.00   -0.0006659   -0.0028028   -0.0010504
 C    8.3699356   -0.1317697   -0.1859260  0.00   -0.0008861    0.0030072   -0.0030600
 C    7.3053626    0.7937097   -0.5038833  0.00   -0.0079499   -0.0011930   -0.0028288
 H    7.6229339    1.7858545   -0.8332525  0.00   -0.0018974   -0.0000173   -0.0045195
 C    5.9560100    0.6070434   -0.3383878  0.00    0.0012400    0.0041307    0.0044656
 H    5.5954731   -0.3268549    0.1039275  0.00    0.0020562    0.0090148   -0.0018413
 C    4.9402738    1.5809795   -0.6600719  0.00    0.0020572    0.0000426   -0.0163098
 C    5.3547078    2.8790838   -1.2798583  0.00   -0.0020738   -0.0074133    0.0022636
 H    4.5001787    3.5197415   -1.5256477  0.00   -0.0042089    0.0014577   -0.0030120
 H    5.9186065    2.7080650   -2.2116361  0.00    0.0009204   -0.0011645    0.0020934
 H    6.0159271    3.4471245   -0.6041957  0.00    0.0019904    0.0075397    0.0009712
 C    3.6305484    1.2467494   -0.3915827  0.00   -0.0016956    0.0028460    0.0063423
 H    3.4523672    0.2611872    0.0567254  0.00    0.0019682    0.0020603    0.0012167
 C    2.4617407    2.0438605   -0.6232109  0.00    0.0014897   -0.0002048    0.0020293
 H    2.5912913    3.0325421   -1.0691047  0.00   -0.0006976   -0.0012327   -0.0008802
 C    1.1990153    1.6148724   -0.3036873  0.00   -0.0029070    0.0027530   -0.0009232
 H    1.0845333    0.6131669    0.1281538  0.00   -0.0030586    0.0034148    0.0017371
 C   -0.0143997    2.3687172   -0.4883509  0.00    0.0012126    0.0008127   -0.0003484
 C    0.0822683    3.7389594   -1.0792044  0.00   -0.0017323   -0.0015555   -0.0010738
 H   -0.8918515    4.2303107   -1.1891396  0.00    0.0026808    0.0018883   -0.0004888
 H    0.5520907    3.7034256   -2.0762984  0.00   -0.0031262   -0.0004330   -0.0017630
 H    0.7194157    4.3901935   -0.4569628  0.00   -0.0039689    0.0024147   -0.0020203
 C   -1.2079316    1.7721225   -0.1062729  0.00    0.0018297   -0.0065293    0.0006115
 H   -1.1710230    0.7610048    0.3123390  0.00   -0.0022301   -0.0023506   -0.0018267
 C   -2.4948357    2.3399495   -0.2095622  0.00   -0.0025441    0.0017113   -0.0015039
 H   -2.6322958    3.3558022   -0.5965708  0.00    0.0007014   -0.0028221   -0.0016687
 N   -3.5940102    1.6987866    0.1354037  0.00   -0.0023178    0.0030139    0.0004402
 H   -3.4843550    0.7152046    0.4846872  0.00   -0.0004404   -0.0000459   -0.0007511
 C   -4.9230058    2.2545336    0.0742288  0.00    0.0015604   -0.0130196   -0.0021085
 H   -4.8985756    3.1721285   -0.5355365  0.00    0.0030756   -0.0025859   -0.0061850
 H   -5.5714749    1.5301622   -0.4459481  0.00    0.0008155   -0.0006319   -0.0004545
 C   -5.5016116    2.5538235    1.4562223  0.00   -0.0024620   -0.0001178   -0.0021914
 H   -5.4746361    1.6295594    2.0591338  0.00   -0.0030147   -0.0010301    0.0024226
 H   -4.8487707    3.2790987    1.9748091  0.00   -0.0021222   -0.0049530   -0.0077679
 C   -6.9283082    3.0846007    1.3834169  0.00   -0.0001110    0.0039432    0.0056994
 H   -6.9454925    4.0001160    0.7650555  0.00   -0.0006250   -0.0078990    0.0039959
 H   -7.5557253    2.3517567    0.8494458  0.00   -0.0025083    0.0016259   -0.0014710
 C   -7.5322401    3.3772174    2.7478395  0.00    0.0009625    0.0028016    0.0013767
 H   -8.5668477    3.7395727    2.6582441  0.00   -0.0043960    0.0012436   -0.0003444
 H   -7.5545140    2.4743235    3.3784550  0.00    0.0005872   -0.0034993    0.0008462
 H   -6.9570308    4.1436594    3.2918271  0.00    0.0058879   -0.0000199   -0.0018169
 O   -5.6931297   -1.1404013   -0.9643016  0.00    0.0019334   -0.0029337    0.0044169
 H   -4.8551823   -1.6990793   -0.6507501  0.00    0.0021491   -0.0038486    0.0073836
 C   -6.8123918   -1.6509580   -0.5474293  0.00    0.0115117    0.0042261   -0.0089120
 O   -6.9889519   -2.6210642    0.1399863  0.00   -0.0055205   -0.0149865    0.0098186
 C   -8.0138096   -0.8457642   -1.0913005  0.00    0.0048328   -0.0029964    0.0053363
 F   -7.8522209    0.4697569   -0.9000988  0.00    0.0000995    0.0048821   -0.0000387
 F   -8.1567509   -1.0474862   -2.4001885  0.00    0.0030491   -0.0004461   -0.0020771
 F   -9.1413606   -1.2059244   -0.4911926  0.00    0.0042699    0.0027047   -0.0008166
 O   -2.8938478   -0.7526078    1.0018935  0.00    0.0019414   -0.0114884   -0.0068107
 C   -2.8613577   -1.8764331    0.4810029  0.00   -0.0082123    0.0084746    0.0049876
 O   -3.6663312   -2.4317885   -0.2910159  0.00   -0.0013218    0.0024189    0.0061660
 C   -1.6055556   -2.7025622    0.8547917  0.00   -0.0046869    0.0065238    0.0040984
 F   -1.5415498   -2.9077447    2.1729141  0.00   -0.0004366   -0.0001014   -0.0014393
 F   -1.5664429   -3.8939435    0.2605755  0.00    0.0005420   -0.0071842   -0.0019308
 F   -0.4926988   -2.0415129    0.4991380  0.00   -0.0018509   -0.0061787    0.0018808
78
 Energy =   -2041.3855578206
 C    8.2392144   -1.5095201   -0.2944048  0.00    0.0084720    0.0009946   -0.0007968
 C    9.2966370   -2.4499144    0.1891644  0.00   -0.0005574    0.0017701   -0.0009432
 C   10.3625913   -1.8084916    1.0542023  0.00   -0.0013082   -0.0055590    0.0050304
 C   10.8119486   -0.5146748    0.4050304  0.00   -0.0023578   -0.0036370    0.0089612
 C    9.6785295    0.5172800    0.2855076  0.00    0.0111439   -0.0010647    0.0005243
 C   10.1435872    1.5981599   -0.7050055  0.00   -0.0042675    0.0036276   -0.0022105
 H    9.4967350    2.4869722   -0.7091391  0.00    0.0024471   -0.0069850    0.0011160
 H   10.1921160    1.2068465   -1.7331841  0.00   -0.0008968    0.0014142    0.0028463
 H   11.1540416    1.9348201   -0.4260826  0.00    0.0020329   -0.0006172    0.0021546
 C    9.4237215    1.1807095    1.6522968  0.00   -0.0091849   -0.0028681    0.0012126
 H    8.6199107    1.9291356    1.5861093  0.00    0.0028139   -0.0028499    0.0021187
 H   10.3350667    1.6909577    2.0010801  0.00    0.0054890    0.0038345    0.0006218
 H    9.1306303    0.4466583    2.4176668  0.00    0.0032627    0.0011874   -0.0045576
 H   11.2045883   -0.7420435   -0.6031312  0.00    0.0008498    0.0066609    0.0098696
 H   11.6402393   -0.0532370    0.9669117  0.00    0.0069046   -0.0104641   -0.0134541
 H    9.9614480   -1.6112436    2.0616314  0.00   -0.0003158    0.0007388    0.0126695
 H   11.2089186   -2.4998690    1.1869185  0.00    0.0022121    0.0048317   -0.0000267
 H    8.8065751   -3.2967827    0.7050574  0.00   -0.0030462    0.0042425    0.0049418
 H    9.7589484   -2.9200506   -0.7036418  0.00   -0.0013694   -0.0004455   -0.0055385
 C    7.0782180   -2.1850764   -0.9439746  0.00   -0.0058791   -0.0005264   -0.0028855
 H    6.5287027   -1.5324914   -1.6337953  0.00   -0.0026504   -0.0012820    0.0018295
 H    6.3675375   -2.5646667   -0.1837456  0.00    0.0028349   -0.0005676   -0.0219299
 H    7.4287618   -3.0720603   -1.4968584  0.00   -0.0019061   -0.0096270    0.0004455
 C    8.3690447   -0.1318300   -0.1862563  0.00    0.0027532    0.0031172   -0.0039036
 C    7.3049278    0.7937180   -0.5055195  0.00   -0.0014988    0.0030103   -0.0023190
 H    7.6233654    1.7854710   -0.8350729  0.00   -0.0028753    0.0009203   -0.0055170
 C    5.9557755    0.6076788   -0.3394502  0.00    0.0026933    0.0046330    0.0075651
 H    5.5972783   -0.3261410    0.1041763  0.00   -0.0044754    0.0074453   -0.0018279
 C    4.9399930    1.5818147   -0.6603956  0.00   -0.0036657   -0.0071515   -0.0147805
 C    5.3543583    2.8792262   -1.2807228  0.00    0.0047385    0.0017280   -0.0015660
 H    4.4999222    3.5187094   -1.5308766  0.00   -0.0024285   -0.0022921   -0.0033098
 H    5.9227076    2.7070319   -2.2101364  0.00   -0.0035830    0.0019681    0.0084779
 H    6.0119151    3.4500276   -0.6030763  0.00   -0.0003558    0.0030910   -0.0036458
 C    3.6302566    1.2475308   -0.3913964  0.00   -0.0003747   -0.0053362    0.0086781
 H    3.4517303    0.2620611    0.0575088  0.00    0.0050668    0.0046032   -0.0000417
 C    2.4611375    2.0434593   -0.6235517  0.00   -0.0002941    0.0046434    0.0006854
 H    2.5899984    3.0314245   -1.0704030  0.00    0.0017257    0.0043382   -0.0037162
 C    1.1982438    1.6154548   -0.3037837  0.00   -0.0001918   -0.0039749    0.0045761
 H    1.0835171    0.6145821    0.1302082  0.00   -0.0031263    0.0042728   -0.0003850
 C   -0.0148390    2.3694465   -0.4888968  0.00   -0.0006268   -0.0036132    0.0021829
 C    0.0831585    3.7392975   -1.0800029  0.00   -0.0013712    0.0034603   -0.0043962
 H   -0.8900332    4.2323765   -1.1913041  0.00    0.0021286   -0.0007389   -0.0001738
 H    0.5546554    3.7033143   -2.0765122  0.00   -0.0060376   -0.0012751    0.0002159
 H    0.7206247    4.3903222   -0.4577092  0.00   -0.0051217    0.0009923   -0.0011248
 C   -1.2080197    1.7720344   -0.1063168  0.00   -0.0009493   -0.0048837   -0.0010572
 H   -1.1705359    0.7607477    0.3121153  0.00   -0.0010547   -0.0005307   -0.0023265
 C   -2.4955138    2.3386792   -0.2096795  0.00   -0.0019330   -0.0017283   -0.0002905
 H   -2.6331554    3.3543752   -0.5962947  0.00   -0.0004166    0.0018648   -0.0034886
 N   -3.5947103    1.6968095    0.1344532  0.00   -0.0009386    0.0030259    0.0006282
 H   -3.4845888    0.7129954    0.4835278  0.00   -0.0004248    0.0033084   -0.0018645
 C   -4.9239483    2.2525444    0.0729950  0.00    0.0024929   -0.0112029   -0.0008153
 H   -4.8994678    3.1703518   -0.5366036  0.00    0.0033804   -0.0045743   -0.0065712
 H   -5.5722300    1.5280569   -0.4469827  0.00   -0.0000184   -0.0010350   -0.0012959
 C   -5.5022196    2.5525360    1.4552040  0.00    0.0009150   -0.0060284   -0.0046868
 H   -5.4750853    1.6279891    2.0579638  0.00   -0.0030970    0.0024154    0.0028793
 H   -4.8479754    3.2773982    1.9718162  0.00   -0.0001558   -0.0019771   -0.0016667
 C   -6.9284174    3.0842425    1.3838430  0.00   -0.0054776    0.0008229    0.0031935
 H   -6.9462014    3.9995111    0.7651679  0.00   -0.0002212   -0.0084970    0.0031921
 H   -7.5565864    2.3508624    0.8516447  0.00   -0.0029130    0.0026972   -0.0053440
 C   -7.5320036    3.3771082    2.7482269  0.00   -0.0049342    0.0000516    0.0031846
 H   -8.5667220    3.7405425    2.6594154  0.00    0.0024185    0.0001927   -0.0017289
 H   -7.5555727    2.4739045    3.3784512  0.00    0.0016572   -0.0030561    0.0005230
 H   -6.9557296    4.1421353    3.2923578  0.00    0.0078104    0.0045841    0.0017395
 O   -5.6915028   -1.1408056   -0.9621335  0.00    0.0118454   -0.0050582    0.0041889
 H   -4.8544818   -1.7010994   -0.6493925  0.00    0.0061299   -0.0015119    0.0081275
 C   -6.8109788   -1.6508542   -0.5465698  0.00   -0.0010046   -0.0214783    0.0084203
 O   -6.9895835   -2.6222586    0.1396292  0.00    0.0022248    0.0066680   -0.0049876
 C   -8.0106547   -0.8445813   -1.0906840  0.00   -0.0054196    0.0034503    0.0026600
 F   -7.8477550    0.4709372   -0.8995607  0.00    0.0014961    0.0032148   -0.0021204
 F   -8.1530447   -1.0466905   -2.3996533  0.00    0.0039299    0.0011122   -0.0014258
 F   -9.1393508   -1.2025347   -0.4914962  0.00    0.0047119    0.0000339    0.0005245
 O   -2.8899952   -0.7536333    1.0008738  0.00    0.0005308   -0.0072398   -0.0032184
 C   -2.8594411   -1.8782926    0.4820556  0.00    0.0011098    0.0009393    0.0040124
 O   -3.6648189   -2.4335700   -0.2894350  0.00   -0.0053630    0.0004817    0.0054895
 C   -1.6042286   -2.7060452    0.8572136  0.00   -0.0083932   -0.0008186   -0.0045967
 F   -1.5404660   -2.9109166    2.1752488  0.00   -0.0013345    0.0016390   -0.0005155
 F   -1.5665922   -3.8985108    0.2635176  0.00   -0.0001593    0.0042366    0.0025646
 F   -0.4905128   -2.0467606    0.5010929  0.00   -0.0033586   -0.0069953    0.0025187
78
 Energy =   -2041.3855775408
 C    8.2386894   -1.5094424   -0.2945804  0.00    0.0016903    0.0060294   -0.0024908
 C    9.2949945   -2.4497525    0.1905462  0.00    0.0054735   -0.0017873   -0.0037748
 C   10.3616406   -1.8088930    1.0547533  0.00    0.0006249    0.0023902    0.0064646
 C   10.8108879   -0.5155029    0.4048938  0.00    0.0068448    0.0003535    0.0096470
 C    9.6784306    0.5168150    0.2857800  0.00   -0.0010515    0.0041643   -0.0009880
 C   10.1433398    1.5977971   -0.7044813  0.00    0.0001358   -0.0001381   -0.0010370
 H    9.4953625    2.4853173   -0.7097255  0.00   -0.0001735   -0.0017778    0.0011093
 H   10.1935906    1.2060638   -1.7323006  0.00   -0.0005072    0.0010446    0.0010349
 H   11.1529927    1.9358028   -0.4242888  0.00    0.0020840   -0.0004412    0.0016194
 C    9.4223137    1.1807838    1.6523407  0.00    0.0054867    0.0005918    0.0019264
 H    8.6183002    1.9289134    1.5852531  0.00    0.0027267   -0.0038646    0.0024627
 H   10.3338663    1.6920605    2.0016103  0.00   -0.0048842   -0.0022896   -0.0033334
 H    9.1297193    0.4466140    2.4176382  0.00    0.0017438    0.0012122   -0.0028439
 H   11.2033389   -0.7423972   -0.6036452  0.00   -0.0013056    0.0048930    0.0123179
 H   11.6401926   -0.0546098    0.9661425  0.00    0.0038811   -0.0106766   -0.0141397
 H    9.9617173   -1.6104622    2.0626323  0.00    0.0006156   -0.0017438    0.0100718
 H   11.2088019   -2.4993334    1.1864317  0.00    0.0000129    0.0012568    0.0013881
 H    8.8044606   -3.2950886    0.7076943  0.00   -0.0064977   -0.0012732    0.0059567
 H    9.7575980   -2.9214340   -0.7014358  0.00   -0.0037382   -0.0006486   -0.0045756
 C    7.0775821   -2.1843244   -0.9451144  0.00    0.0021027    0.0015403   -0.0036764
 H    6.5299483   -1.5321530   -1.6366153  0.00   -0.0044392    0.0018739    0.0027110
 H    6.3660216   -2.5624437   -0.1853917  0.00   -0.0000622   -0.0034466   -0.0208637
 H    7.4287013   -3.0710941   -1.4974967  0.00   -0.0023705   -0.0149262    0.0005890
 C    8.3685239   -0.1317678   -0.1867722  0.00    0.0060601    0.0056484   -0.0025852
 C    7.3045096    0.7939725   -0.5069316  0.00    0.0057672    0.0018265   -0.0012721
 H    7.6231299    1.7851940   -0.8374877  0.00   -0.0020491    0.0028401   -0.0060272
 C    5.9556674    0.6083574   -0.3398988  0.00    0.0020165    0.0039279    0.0066488
 H    5.5985678   -0.3254660    0.1043117  0.00   -0.0087922    0.0052749   -0.0002384
 C    4.9396095    1.5822012   -0.6609169  0.00   -0.0033627   -0.0063751   -0.0124844
 C    5.3541899    2.8793766   -1.2813648  0.00    0.0014535    0.0062397    0.0011773
 H    4.4996105    3.5174130   -1.5352159  0.00   -0.0013578   -0.0033063   -0.0025546
 H    5.9253440    2.7067101   -2.2085631  0.00   -0.0007519    0.0016091    0.0039312
 H    6.0089929    3.4523565   -0.6025654  0.00   -0.0020632    0.0005713   -0.0048156
 C    3.6300066    1.2480059   -0.3911642  0.00    0.0033809   -0.0000332    0.0049171
 H    3.4526949    0.2630526    0.0581075  0.00    0.0014741   -0.0025591    0.0034628
 C    2.4606917    2.0434440   -0.6237264  0.00   -0.0020092    0.0041571    0.0005990
 H    2.5893776    3.0309340   -1.0716419  0.00    0.0021649    0.0046005   -0.0036628
 C    1.1976556    1.6158044   -0.3037089  0.00    0.0031966    0.0003913    0.0046642
 H    1.0822918    0.6159705    0.1317602  0.00   -0.0018444   -0.0008566    0.0003609
 C   -0.0152153    2.3698407   -0.4892290  0.00   -0.0027740   -0.0038101    0.0035237
 C    0.0837335    3.7396536   -1.0807370  0.00   -0.0001824   -0.0005549   -0.0052726
 H   -0.8885641    4.2339387   -1.1929811  0.00   -0.0018554   -0.0016140   -0.0006700
 H    0.5560800    3.7022534   -2.0769526  0.00   -0.0072992    0.0004085    0.0022816
 H    0.7211164    4.3905551   -0.4582777  0.00   -0.0038878    0.0003903   -0.0011538
 C   -1.2081528    1.7717402   -0.1063970  0.00   -0.0052667    0.0009545   -0.0035695
 H   -1.1705583    0.7604251    0.3118024  0.00    0.0005527   -0.0011790   -0.0018254
 C   -2.4961222    2.3377436   -0.2097798  0.00    0.0005805   -0.0037509   -0.0003262
 H   -2.6339221    3.3533897   -0.5964323  0.00   -0.0008925    0.0024210   -0.0034068
 N   -3.5952912    1.6953495    0.1339466  0.00    0.0045530    0.0027477   -0.0002368
 H   -3.4847825    0.7115292    0.4826792  0.00   -0.0001333    0.0037922   -0.0016882
 C   -4.9244429    2.2508155    0.0720609  0.00   -0.0004668   -0.0096931    0.0000800
 H   -4.8993651    3.1684762   -0.5375671  0.00    0.0019141   -0.0033656   -0.0075286
 H   -5.5726687    1.5263747   -0.4477646  0.00   -0.0006484   -0.0020937   -0.0025762
 C   -5.5026067    2.5513526    1.4542095  0.00   -0.0029129   -0.0059829   -0.0044438
 H   -5.4761796    1.6268692    2.0570870  0.00   -0.0012030    0.0029569    0.0035146
 H   -4.8475234    3.2759878    1.9694480  0.00    0.0019794   -0.0000737    0.0031861
 C   -6.9287070    3.0839939    1.3842873  0.00   -0.0055726   -0.0056271   -0.0001971
 H   -6.9469606    3.9988083    0.7654168  0.00    0.0003162   -0.0050123    0.0010998
 H   -7.5574155    2.3504517    0.8528665  0.00   -0.0028735    0.0036284   -0.0059989
 C   -7.5318901    3.3770143    2.7487954  0.00   -0.0054284   -0.0019240    0.0020354
 H   -8.5665658    3.7413779    2.6596266  0.00    0.0071773   -0.0020293    0.0003534
 H   -7.5554451    2.4733720    3.3786313  0.00   -0.0001843   -0.0005511   -0.0000928
 H   -6.9546763    4.1412598    3.2928112  0.00    0.0075315    0.0064192    0.0031714
 O   -5.6895961   -1.1416466   -0.9601424  0.00    0.0082200   -0.0038126    0.0022099
 H   -4.8527807   -1.7027869   -0.6482807  0.00    0.0071628   -0.0021685    0.0104994
 C   -6.8097838   -1.6510868   -0.5458394  0.00    0.0010301   -0.0264817    0.0150864
 O   -6.9899046   -2.6231548    0.1393509  0.00    0.0036389    0.0118864   -0.0090916
 C   -8.0082096   -0.8435766   -1.0901449  0.00   -0.0006763    0.0117346   -0.0017013
 F   -7.8439870    0.4723138   -0.8996573  0.00    0.0003954   -0.0041581   -0.0020449
 F   -8.1491451   -1.0459853   -2.3993088  0.00    0.0006256    0.0013373   -0.0003054
 F   -9.1375128   -1.1998380   -0.4917001  0.00    0.0019260   -0.0009497    0.0006386
 O   -2.8869358   -0.7546774    0.9997154  0.00   -0.0008474    0.0110981    0.0062737
 C   -2.8580967   -1.8796154    0.4829071  0.00    0.0036078   -0.0149589   -0.0046474
 O   -3.6641361   -2.4348651   -0.2879355  0.00   -0.0064664   -0.0027717    0.0041682
 C   -1.6040020   -2.7085790    0.8588231  0.00   -0.0038751   -0.0094157   -0.0045691
 F   -1.5404643   -2.9129241    2.1769775  0.00   -0.0036009    0.0021156    0.0002123
 F   -1.5671919   -3.9016805    0.2658091  0.00   -0.0034408    0.0066161    0.0038134
 F   -0.4892716   -2.0514710    0.5027027  0.00   -0.0015415   -0.0019740    0.0008622
78
 Energy =   -2041.3856085627
 C    8.2379604   -1.5090483   -0.2950770  0.00   -0.0024563    0.0076225   -0.0043041
 C    9.2930553   -2.4495542    0.1923439  0.00    0.0026308   -0.0077032    0.0026436
 C   10.3607360   -1.8090463    1.0560726  0.00    0.0009548    0.0028832    0.0041922
 C   10.8102651   -0.5165045    0.4054721  0.00    0.0002058    0.0059687   -0.0026407
 C    9.6782567    0.5165684    0.2861342  0.00   -0.0058759    0.0031679    0.0005653
 C   10.1432464    1.5973660   -0.7037092  0.00    0.0057016   -0.0037476    0.0012386
 H    9.4936011    2.4829605   -0.7093219  0.00   -0.0034046    0.0069757   -0.0008668
 H   10.1952473    1.2053979   -1.7312212  0.00    0.0000785    0.0010303   -0.0008390
 H   11.1519303    1.9370923   -0.4219023  0.00    0.0013702   -0.0006477    0.0002952
 C    9.4209766    1.1810963    1.6525720  0.00    0.0080116   -0.0002829   -0.0040240
 H    8.6162574    1.9285588    1.5852365  0.00    0.0036553   -0.0051071    0.0012341
 H   10.3321579    1.6936198    2.0012975  0.00   -0.0064219   -0.0045732   -0.0018179
 H    9.1286253    0.4465069    2.4172942  0.00    0.0022996    0.0008919    0.0010714
 H   11.2020066   -0.7427431   -0.6038088  0.00   -0.0040201    0.0017353    0.0164413
 H   11.6405781   -0.0565807    0.9648310  0.00    0.0089155   -0.0046214   -0.0066267
 H    9.9625046   -1.6098982    2.0647127  0.00    0.0005820   -0.0033399    0.0060560
 H   11.2087686   -2.4986867    1.1864955  0.00   -0.0035351   -0.0023027    0.0024156
 H    8.8002518   -3.2926221    0.7119291  0.00   -0.0022144    0.0011853    0.0006926
 H    9.7552779   -2.9235954   -0.6986252  0.00   -0.0046902   -0.0019081   -0.0026629
 C    7.0766816   -2.1831694   -0.9469855  0.00    0.0073706    0.0057301   -0.0027449
 H    6.5304883   -1.5315094   -1.6402612  0.00   -0.0025996    0.0034633    0.0053602
 H    6.3637781   -2.5596694   -0.1879694  0.00   -0.0012000   -0.0056983   -0.0199098
 H    7.4280706   -3.0700460   -1.4984170  0.00   -0.0018635   -0.0203585   -0.0003300
 C    8.3682120   -0.1314770   -0.1877642  0.00    0.0069179    0.0103344    0.0005718
 C    7.3041993    0.7944459   -0.5088791  0.00    0.0090216    0.0016647   -0.0001898
 H    7.6223354    1.7850932   -0.8415029  0.00   -0.0000932    0.0032743   -0.0052828
 C    5.9555867    0.6093485   -0.3401191  0.00    0.0058602    0.0021127    0.0016460
 H    5.6000015   -0.3245443    0.1045401  0.00   -0.0130869    0.0028937    0.0026909
 C    4.9391178    1.5824982   -0.6619202  0.00    0.0027448    0.0004930   -0.0084231
 C    5.3542004    2.8798361   -1.2822369  0.00   -0.0112776    0.0045383    0.0043965
 H    4.4991710    3.5151281   -1.5416198  0.00   -0.0007704   -0.0022691   -0.0005860
 H    5.9290170    2.7072135   -2.2061593  0.00    0.0062863   -0.0016675   -0.0075900
 H    6.0050380    3.4556929   -0.6024047  0.00   -0.0015159    0.0008636   -0.0004324
 C    3.6299033    1.2485328   -0.3907776  0.00    0.0015250    0.0063166   -0.0006531
 H    3.4545109    0.2638663    0.0589906  0.00   -0.0038253   -0.0067395    0.0062467
 C    2.4601041    2.0437152   -0.6239631  0.00    0.0008197   -0.0008132    0.0014609
 H    2.5889448    3.0305828   -1.0736517  0.00    0.0012497    0.0017079   -0.0015254
 C    1.1970095    1.6162942   -0.3034782  0.00    0.0043810    0.0033359    0.0060175
 H    1.0802203    0.6175418    0.1339236  0.00    0.0027167   -0.0028615   -0.0005609
 C   -0.0157803    2.3702150   -0.4894619  0.00   -0.0023050    0.0008326    0.0007612
 C    0.0845453    3.7400903   -1.0819689  0.00   -0.0051740   -0.0065482    0.0054444
 H   -0.8867259    4.2357143   -1.1954085  0.00   -0.0070082   -0.0025688   -0.0008231
 H    0.5574278    3.7013760   -2.0773624  0.00   -0.0036607    0.0006177   -0.0038103
 H    0.7215008    4.3910213   -0.4590885  0.00   -0.0024673   -0.0008945   -0.0017631
 C   -1.2084246    1.7713151   -0.1065104  0.00   -0.0063232    0.0022000   -0.0046814
 H   -1.1704043    0.7596625    0.3113684  0.00    0.0013621    0.0024913   -0.0024755
 C   -2.4968277    2.3364079   -0.2099843  0.00    0.0023571    0.0020205   -0.0037319
 H   -2.6349217    3.3522382   -0.5969588  0.00   -0.0004975   -0.0020035   -0.0010460
 N   -3.5958162    1.6934374    0.1332022  0.00    0.0038636    0.0025308   -0.0011006
 H   -3.4850274    0.7096818    0.4811553  0.00    0.0013962    0.0012020    0.0003677
 C   -4.9251065    2.2483231    0.0707430  0.00   -0.0035419   -0.0101678   -0.0018080
 H   -4.8987988    3.1655733   -0.5392846  0.00   -0.0018269   -0.0013804   -0.0075093
 H   -5.5733991    1.5237963   -0.4489333  0.00    0.0014212   -0.0018803   -0.0032455
 C   -5.5033508    2.5494237    1.4526620  0.00   -0.0023112    0.0022758    0.0017008
 H   -5.4779988    1.6255078    2.0561405  0.00    0.0021635    0.0003045    0.0042098
 H   -4.8467592    3.2739652    1.9664840  0.00   -0.0009714   -0.0025127    0.0053378
 C   -6.9293020    3.0832354    1.3847852  0.00   -0.0032325   -0.0037617   -0.0022354
 H   -6.9476234    3.9977436    0.7657798  0.00    0.0002691   -0.0022113   -0.0002704
 H   -7.5585945    2.3502171    0.8538572  0.00   -0.0059323    0.0008914   -0.0076206
 C   -7.5321291    3.3769022    2.7497082  0.00    0.0081604   -0.0015241   -0.0020366
 H   -8.5663074    3.7421055    2.6598470  0.00    0.0058447   -0.0013017    0.0024639
 H   -7.5558351    2.4726704    3.3786350  0.00   -0.0019524    0.0007029    0.0022385
 H   -6.9531898    4.1406212    3.2935885  0.00    0.0015434    0.0013033    0.0003993
 O   -5.6864471   -1.1434173   -0.9572073  0.00   -0.0019847   -0.0005958   -0.0010981
 H   -4.8489280   -1.7052474   -0.6465792  0.00    0.0015537   -0.0032006    0.0139775
 C   -6.8081040   -1.6518727   -0.5446905  0.00    0.0152609   -0.0020315    0.0027300
 O   -6.9901217   -2.6240861    0.1387765  0.00   -0.0020128   -0.0082617    0.0044717
 C   -8.0049571   -0.8417389   -1.0895245  0.00    0.0070571    0.0025310   -0.0076500
 F   -7.8391840    0.4737667   -0.9004120  0.00    0.0004490    0.0007205    0.0024074
 F   -8.1442549   -1.0447533   -2.3989359  0.00   -0.0034392    0.0002743   -0.0000803
 F   -9.1351192   -1.1964382   -0.4919381  0.00    0.0001538    0.0001463    0.0001407
 O   -2.8829619   -0.7554747    0.9983455  0.00   -0.0006465    0.0048460    0.0047041
 C   -2.8562380   -1.8816465    0.4839233  0.00   -0.0006303   -0.0072056   -0.0051288
 O   -3.6637960   -2.4368996   -0.2855544  0.00   -0.0012964   -0.0052780    0.0046853
 C   -1.6041272   -2.7123635    0.8609057  0.00   -0.0027986   -0.0054971    0.0022022
 F   -1.5418781   -2.9152388    2.1794537  0.00   -0.0040036    0.0008299    0.0006344
 F   -1.5694567   -3.9056373    0.2692466  0.00   -0.0041981   -0.0033404    0.0002201
 F   -0.4878526   -2.0583196    0.5050341  0.00    0.0017347    0.0028503   -0.0011266
78
 Energy =   -2041.3856245237
 C    8.2372706   -1.5083568   -0.2957081  0.00    0.0043541   -0.0016091   -0.0008048
 C    9.2917327   -2.4497183    0.1937573  0.00   -0.0059422   -0.0018476    0.0069295
 C   10.3602434   -1.8089995    1.0572305  0.00   -0.0034601   -0.0001133    0.0007941
 C   10.8100104   -0.5170076    0.4059065  0.00   -0.0077384    0.0089558    0.0002681
 C    9.6781350    0.5165423    0.2864120  0.00   -0.0027246    0.0008155    0.0000822
 C   10.1435859    1.5969756   -0.7030702  0.00   -0.0006593    0.0037104   -0.0010133
 H    9.4922779    2.4816826   -0.7095572  0.00    0.0013007    0.0047416   -0.0008931
 H   10.1968738    1.2053039   -1.7305601  0.00    0.0006710   -0.0004522   -0.0015169
 H   11.1513731    1.9379018   -0.4201678  0.00    0.0035448    0.0004535    0.0006802
 C    9.4202847    1.1812979    1.6524177  0.00    0.0004199   -0.0031896   -0.0018219
 H    8.6148160    1.9281823    1.5855491  0.00    0.0051988   -0.0065144   -0.0006635
 H   10.3306705    1.6945880    2.0009268  0.00   -0.0012311   -0.0028580    0.0005604
 H    9.1281794    0.4464350    2.4170934  0.00    0.0036083    0.0020799    0.0009600
 H   11.2003547   -0.7429947   -0.6034363  0.00   -0.0014206   -0.0024529    0.0098432
 H   11.6415949   -0.0580929    0.9637551  0.00    0.0092633   -0.0006167   -0.0030131
 H    9.9633002   -1.6101341    2.0666250  0.00   -0.0001335   -0.0023204    0.0021184
 H   11.2083432   -2.4984428    1.1870956  0.00   -0.0025146   -0.0052522    0.0020191
 H    8.7967238   -3.2907202    0.7152229  0.00    0.0015031    0.0032819   -0.0024643
 H    9.7530027   -2.9257666   -0.6964951  0.00   -0.0032568   -0.0029648   -0.0020507
 C    7.0761237   -2.1821023   -0.9485398  0.00    0.0036104    0.0060912   -0.0014509
 H    6.5303707   -1.5307170   -1.6427338  0.00    0.0005399    0.0028714    0.0074591
 H    6.3618474   -2.5580125   -0.1902087  0.00    0.0019075   -0.0045292   -0.0210298
 H    7.4272176   -3.0695336   -1.4991658  0.00   -0.0007570   -0.0207788   -0.0007220
 C    8.3684041   -0.1310476   -0.1885704  0.00    0.0019345    0.0139443    0.0012084
 C    7.3043363    0.7948786   -0.5103705  0.00    0.0083477    0.0042639   -0.0003167
 H    7.6217614    1.7851606   -0.8450961  0.00    0.0012761    0.0015038   -0.0033067
 C    5.9558212    0.6101389   -0.3402027  0.00    0.0068384   -0.0003698   -0.0025749
 H    5.6007451   -0.3238539    0.1047762  0.00   -0.0136073    0.0045006    0.0036738
 C    4.9389949    1.5828011   -0.6628628  0.00    0.0036773    0.0028165   -0.0016545
 C    5.3539992    2.8804303   -1.2828704  0.00   -0.0041070   -0.0061770   -0.0065390
 H    4.4988862    3.5131305   -1.5465743  0.00   -0.0053726    0.0026809   -0.0015388
 H    5.9328225    2.7072138   -2.2047237  0.00    0.0012143    0.0001080   -0.0025025
 H    6.0018818    3.4583724   -0.6023618  0.00   -0.0008805    0.0020365    0.0038140
 C    3.6299280    1.2490504   -0.3904728  0.00   -0.0005083    0.0009845   -0.0017192
 H    3.4549874    0.2640536    0.0597263  0.00   -0.0033962   -0.0002554    0.0040738
 C    2.4597317    2.0439053   -0.6241025  0.00    0.0040975   -0.0001940    0.0006468
 H    2.5887714    3.0303685   -1.0752605  0.00   -0.0001552   -0.0021424    0.0010339
 C    1.1966175    1.6167619   -0.3031491  0.00    0.0032677    0.0031442    0.0072193
 H    1.0789816    0.6185602    0.1355172  0.00    0.0056566   -0.0020544   -0.0017014
 C   -0.0162477    2.3705774   -0.4895884  0.00    0.0001951   -0.0004057   -0.0000821
 C    0.0850495    3.7401420   -1.0826797  0.00   -0.0079022   -0.0053333    0.0026747
 H   -0.8856593    4.2364615   -1.1973400  0.00   -0.0096478   -0.0030499    0.0003095
 H    0.5581799    3.7011719   -2.0781086  0.00   -0.0033661   -0.0006198   -0.0010329
 H    0.7216394    4.3913112   -0.4597448  0.00   -0.0013947   -0.0013162   -0.0014930
 C   -1.2087453    1.7710953   -0.1066644  0.00   -0.0018353    0.0037601   -0.0062765
 H   -1.1699466    0.7593651    0.3109464  0.00    0.0006876    0.0027280   -0.0018366
 C   -2.4972676    2.3354380   -0.2103378  0.00   -0.0001210    0.0052976   -0.0053361
 H   -2.6357818    3.3512198   -0.5974558  0.00    0.0001134   -0.0023235   -0.0005185
 N   -3.5961034    1.6920334    0.1324030  0.00   -0.0019273    0.0021045   -0.0010538
 H   -3.4850228    0.7083255    0.4798240  0.00    0.0023258   -0.0006175    0.0020495
 C   -4.9259114    2.2463204    0.0695948  0.00    0.0002736   -0.0080202   -0.0009805
 H   -4.8988018    3.1632568   -0.5409068  0.00   -0.0045285   -0.0008562   -0.0065408
 H   -5.5739520    1.5216785   -0.4499983  0.00    0.0015253   -0.0031889   -0.0038196
 C   -5.5041292    2.5480319    1.4515984  0.00    0.0006355    0.0032186    0.0021325
 H   -5.4789784    1.6245546    2.0555844  0.00    0.0032310   -0.0016866    0.0042034
 H   -4.8463670    3.2722239    1.9644341  0.00   -0.0025089   -0.0019835    0.0067618
 C   -6.9299119    3.0824711    1.3850778  0.00   -0.0018026   -0.0011036   -0.0054836
 H   -6.9480126    3.9968989    0.7660914  0.00   -0.0000069   -0.0006553   -0.0010207
 H   -7.5598158    2.3500892    0.8540926  0.00   -0.0067324   -0.0001350   -0.0066462
 C   -7.5319748    3.3768527    2.7502362  0.00    0.0102789   -0.0040364    0.0016970
 H   -8.5659983    3.7424550    2.6608249  0.00    0.0056759    0.0008622    0.0012412
 H   -7.5572119    2.4722388    3.3788898  0.00    0.0006008    0.0035799    0.0016620
 H   -6.9520713    4.1402470    3.2942869  0.00   -0.0017552   -0.0035215   -0.0024168
 O   -5.6841913   -1.1448716   -0.9550899  0.00    0.0008747    0.0012309   -0.0029093
 H   -4.8460492   -1.7072092   -0.6451104  0.00   -0.0025981   -0.0034850    0.0157669
 C   -6.8065125   -1.6524988   -0.5438053  0.00    0.0107085    0.0082373   -0.0046819
 O   -6.9907463   -2.6249366    0.1383881  0.00   -0.0011082   -0.0150837    0.0097101
 C   -8.0022473   -0.8403133   -1.0894453  0.00    0.0043652   -0.0059617   -0.0006205
 F   -7.8353901    0.4749951   -0.9002569  0.00    0.0007247    0.0004691    0.0007844
 F   -8.1415024   -1.0437778   -2.3986887  0.00   -0.0024946    0.0024713   -0.0017428
 F   -9.1332156   -1.1939792   -0.4921189  0.00    0.0037019    0.0024468   -0.0015219
 O   -2.8801064   -0.7560446    0.9976975  0.00   -0.0004324   -0.0114503   -0.0032380
 C   -2.8547576   -1.8833641    0.4846461  0.00   -0.0069639    0.0073762   -0.0012891
 O   -3.6635522   -2.4389206   -0.2835756  0.00    0.0029280   -0.0027587    0.0059576
 C   -1.6044530   -2.7155571    0.8626245  0.00   -0.0019561    0.0058282    0.0017488
 F   -1.5441127   -2.9167836    2.1813920  0.00    0.0001288   -0.0020867    0.0015687
 F   -1.5724113   -3.9090493    0.2719636  0.00    0.0007862   -0.0072497   -0.0002129
 F   -0.4866210   -2.0633368    0.5067931  0.00   -0.0042870   -0.0039797    0.0012237
78
 Energy =   -2041.3856532065
 C    8.2367938   -1.5076472   -0.2963420  0.00    0.0059708   -0.0047867    0.0026915
 C    9.2900133   -2.4499641    0.1952092  0.00   -0.0046446    0.0058855    0.0034664
 C   10.3593129   -1.8090666    1.0583135  0.00   -0.0032182   -0.0036292    0.0004227
 C   10.8091625   -0.5172112    0.4065206  0.00   -0.0037629    0.0068206    0.0052383
 C    9.6779035    0.5165844    0.2866019  0.00   -0.0000397    0.0013996    0.0005822
 C   10.1437235    1.5967649   -0.7025608  0.00   -0.0032205    0.0124042   -0.0033535
 H    9.4909577    2.4809130   -0.7103333  0.00    0.0069662   -0.0000130   -0.0001454
 H   10.1986690    1.2052293   -1.7300234  0.00    0.0008361   -0.0016160   -0.0011702
 H   11.1508429    1.9386874   -0.4184115  0.00    0.0027619    0.0012025    0.0003679
 C    9.4195808    1.1812324    1.6520677  0.00   -0.0082304   -0.0033751    0.0019968
 H    8.6134463    1.9275120    1.5854658  0.00    0.0058994   -0.0071303   -0.0013216
 H   10.3290058    1.6949822    2.0006982  0.00    0.0064140    0.0012837    0.0024247
 H    9.1281938    0.4464064    2.4169993  0.00    0.0028087    0.0010647    0.0009191
 H   11.1981135   -0.7432705   -0.6027501  0.00    0.0014955   -0.0065154    0.0019178
 H   11.6428674   -0.0595232    0.9627030  0.00    0.0028931    0.0006666   -0.0025345
 H    9.9637242   -1.6106821    2.0685076  0.00   -0.0018701   -0.0009464   -0.0015235
 H   11.2074507   -2.4987100    1.1882403  0.00   -0.0041020   -0.0040507   -0.0006738
 H    8.7934231   -3.2887898    0.7181260  0.00   -0.0001677   -0.0001347   -0.0008135
 H    9.7501556   -2.9284815   -0.6946061  0.00   -0.0028454   -0.0009627    0.0024638
 C    7.0757516   -2.1809238   -0.9499877  0.00    0.0015405    0.0010403   -0.0011732
 H    6.5303178   -1.5296004   -1.6444803  0.00    0.0020184    0.0033137    0.0065365
 H    6.3602689   -2.5568756   -0.1925902  0.00    0.0042556   -0.0023280   -0.0203246
 H    7.4262005   -3.0693267   -1.4999143  0.00    0.0000346   -0.0165332   -0.0001775
 C    8.3687036   -0.1302998   -0.1892620  0.00   -0.0034767    0.0090379   -0.0002302
 C    7.3047570    0.7956679   -0.5118193  0.00    0.0025413    0.0008970   -0.0005156
 H    7.6213830    1.7852288   -0.8491655  0.00    0.0030879    0.0027711   -0.0017661
 C    5.9563141    0.6108780   -0.3403601  0.00    0.0039946   -0.0013637   -0.0052086
 H    5.6009468   -0.3231282    0.1050393  0.00   -0.0104701    0.0087862    0.0033135
 C    4.9389783    1.5831642   -0.6638052  0.00    0.0004684   -0.0030564    0.0064927
 C    5.3535961    2.8806211   -1.2835537  0.00    0.0045875   -0.0008081   -0.0164179
 H    4.4984436    3.5117480   -1.5512903  0.00   -0.0043676    0.0012774   -0.0011041
 H    5.9364175    2.7072444   -2.2035288  0.00   -0.0043962    0.0017185    0.0041641
 H    5.9987330    3.4609264   -0.6019734  0.00   -0.0041831   -0.0010362    0.0027250
 C    3.6299005    1.2495737   -0.3901974  0.00    0.0003242   -0.0061239   -0.0015309
 H    3.4543773    0.2643207    0.0604613  0.00    0.0002681    0.0072517    0.0012969
 C    2.4595471    2.0440981   -0.6241701  0.00    0.0022718    0.0013190    0.0002513
 H    2.5886194    3.0300267   -1.0766741  0.00   -0.0007817   -0.0030046    0.0020967
 C    1.1963125    1.6173305   -0.3025740  0.00    0.0058527    0.0018322    0.0066755
 H    1.0788313    0.6193669    0.1368709  0.00    0.0057211   -0.0008350   -0.0018373
 C   -0.0166801    2.3708548   -0.4896919  0.00    0.0035531   -0.0039651    0.0009588
 C    0.0852194    3.7397993   -1.0832406  0.00   -0.0089300    0.0002949   -0.0023104
 H   -0.8852001    4.2363961   -1.1990363  0.00   -0.0108457   -0.0030827    0.0015070
 H    0.5584151    3.7004393   -2.0788300  0.00   -0.0031445   -0.0011227    0.0021927
 H    0.7215750    4.3913395   -0.4603716  0.00   -0.0014902   -0.0020298   -0.0023492
 C   -1.2091097    1.7710768   -0.1069949  0.00    0.0024718    0.0034183   -0.0067672
 H   -1.1693677    0.7594219    0.3104106  0.00   -0.0007787    0.0012164   -0.0005378
 C   -2.4976702    2.3346857   -0.2109302  0.00   -0.0058496    0.0020416   -0.0038886
 H   -2.6366685    3.3500868   -0.5980499  0.00   -0.0000012    0.0025917   -0.0022126
 N   -3.5964331    1.6907433    0.1315147  0.00    0.0003903    0.0004354   -0.0005125
 H   -3.4845076    0.7070798    0.4788208  0.00    0.0010996    0.0005274    0.0021255
 C   -4.9266217    2.2442722    0.0684992  0.00    0.0001568   -0.0037258   -0.0010466
 H   -4.8996257    3.1609351   -0.5426601  0.00   -0.0050194   -0.0018472   -0.0048435
 H   -5.5742210    1.5193655   -0.4511861  0.00    0.0012344   -0.0038920   -0.0023890
 C   -5.5048219    2.5468717    1.4506981  0.00    0.0018398   -0.0050246   -0.0025050
 H   -5.4790443    1.6235970    2.0551217  0.00    0.0019729   -0.0011571    0.0032628
 H   -4.8462855    3.2704610    1.9626761  0.00   -0.0007772    0.0028204    0.0091816
 C   -6.9305293    3.0816283    1.3851636  0.00   -0.0002939   -0.0013425   -0.0082994
 H   -6.9484173    3.9960367    0.7663199  0.00    0.0000681    0.0013178   -0.0016818
 H   -7.5613339    2.3499925    0.8537289  0.00   -0.0044943    0.0011949   -0.0022132
 C   -7.5309896    3.3766769    2.7508230  0.00   -0.0051905   -0.0083741    0.0004399
 H   -8.5653286    3.7428500    2.6622855  0.00    0.0118515    0.0000524    0.0003803
 H   -7.5577940    2.4720010    3.3794972  0.00    0.0035519    0.0046376    0.0010549
 H   -6.9509739    4.1396484    3.2947306  0.00    0.0024084   -0.0013421   -0.0010571
 O   -5.6819075   -1.1459658   -0.9534076  0.00    0.0029102   -0.0017358   -0.0004082
 H   -4.8439539   -1.7092229   -0.6435238  0.00   -0.0020754   -0.0034856    0.0162992
 C   -6.8046400   -1.6529687   -0.5430134  0.00    0.0002597   -0.0013979   -0.0016090
 O   -6.9913595   -2.6260984    0.1382392  0.00    0.0059507   -0.0004339   -0.0001509
 C   -7.9991875   -0.8391870   -1.0894417  0.00   -0.0022168   -0.0056368    0.0049711
 F   -7.8313965    0.4760351   -0.8998988  0.00    0.0034501   -0.0005213   -0.0013684
 F   -8.1393107   -1.0424912   -2.3984900  0.00    0.0016202    0.0027568   -0.0037557
 F   -9.1308125   -1.1913430   -0.4923158  0.00    0.0027278    0.0009377    0.0004287
 O   -2.8776592   -0.7571039    0.9970427  0.00   -0.0014552   -0.0069042   -0.0042328
 C   -2.8536347   -1.8848753    0.4853048  0.00   -0.0054833    0.0038523    0.0005725
 O   -3.6631680   -2.4411865   -0.2815120  0.00   -0.0020954   -0.0017857    0.0020490
 C   -1.6049533   -2.7183334    0.8641776  0.00   -0.0022147   -0.0009054    0.0037785
 F   -1.5464227   -2.9185687    2.1833458  0.00    0.0028853   -0.0019058   -0.0016222
 F   -1.5750971   -3.9127715    0.2745646  0.00    0.0031145   -0.0009569    0.0028993
 F   -0.4859213   -2.0683436    0.5084904  0.00   -0.0037231   -0.0062387    0.0020473
78
 Energy =   -2041.3856796034
 C    8.2363795   -1.5068576   -0.2969430  0.00   -0.0042417    0.0056553    0.0027994
 C    9.2870727   -2.4498806    0.1973220  0.00    0.0044788    0.0062912   -0.0014728
 C   10.3573961   -1.8094657    1.0599099  0.00   -0.0005628   -0.0006230   -0.0002340
 C   10.8073284   -0.5173704    0.4076074  0.00    0.0071293   -0.0029855    0.0016746
 C    9.6772012    0.5167991    0.2869476  0.00    0.0015891    0.0044326   -0.0009783
 C   10.1434143    1.5971007   -0.7020611  0.00    0.0038807    0.0036019   -0.0056322
 H    9.4891109    2.4797455   -0.7113208  0.00    0.0068323    0.0042745   -0.0005976
 H   10.2008681    1.2043189   -1.7293445  0.00    0.0001640    0.0018984    0.0045764
 H   11.1498500    1.9398543   -0.4159302  0.00   -0.0000931    0.0023740   -0.0013836
 C    9.4178917    1.1809398    1.6517597  0.00    0.0034656    0.0032469    0.0066466
 H    8.6114557    1.9261845    1.5848581  0.00    0.0005429   -0.0021624   -0.0004165
 H   10.3270108    1.6953863    2.0008984  0.00    0.0035543    0.0010263    0.0000217
 H    9.1282001    0.4463455    2.4168758  0.00   -0.0019031   -0.0046241    0.0049259
 H   11.1950897   -0.7439348   -0.6018879  0.00    0.0011483   -0.0095170   -0.0009438
 H   11.6440286   -0.0615312    0.9612051  0.00   -0.0044459    0.0033950    0.0003694
 H    9.9632246   -1.6111340    2.0708985  0.00   -0.0029715   -0.0009950   -0.0055305
 H   11.2055025   -2.4995925    1.1895796  0.00   -0.0067903   -0.0011225   -0.0029891
 H    8.7886801   -3.2860609    0.7219367  0.00   -0.0037802   -0.0051403    0.0018246
 H    9.7455289   -2.9320080   -0.6919664  0.00   -0.0020058    0.0025869    0.0093238
 C    7.0754446   -2.1792655   -0.9519961  0.00    0.0065931   -0.0062903   -0.0028092
 H    6.5308225   -1.5276473   -1.6465289  0.00    0.0020027    0.0045302    0.0030136
 H    6.3588872   -2.5552475   -0.1960587  0.00    0.0016085   -0.0015956   -0.0145447
 H    7.4250715   -3.0691191   -1.5008670  0.00    0.0004943   -0.0092807    0.0000639
 C    8.3686108   -0.1289905   -0.1901325  0.00   -0.0034437   -0.0081776   -0.0009674
 C    7.3051786    0.7968869   -0.5138947  0.00   -0.0037238    0.0007588   -0.0036590
 H    7.6214257    1.7853980   -0.8552050  0.00    0.0020857    0.0004844    0.0021367
 C    5.9569738    0.6118437   -0.3408848  0.00   -0.0039267   -0.0032006   -0.0059705
 H    5.6008749   -0.3219538    0.1054325  0.00   -0.0042819    0.0144440    0.0020644
 C    4.9387625    1.5834483   -0.6648884  0.00   -0.0008150   -0.0040944    0.0106039
 C    5.3530968    2.8809147   -1.2847760  0.00    0.0006205    0.0062689   -0.0125877
 H    4.4976183    3.5098586   -1.5578752  0.00   -0.0009066   -0.0018984    0.0010786
 H    5.9403410    2.7077470   -2.2015643  0.00   -0.0017457    0.0005403   -0.0001699
 H    5.9939364    3.4641689   -0.6010558  0.00   -0.0074255   -0.0045601   -0.0002900
 C    3.6297464    1.2500676   -0.3898428  0.00    0.0038560   -0.0006485   -0.0062227
 H    3.4535979    0.2655266    0.0615022  0.00    0.0022785    0.0029811    0.0034666
 C    2.4593483    2.0444672   -0.6242068  0.00   -0.0011512   -0.0002643    0.0014447
 H    2.5882639    3.0294007   -1.0784781  0.00   -0.0001837    0.0002474    0.0015337
 C    1.1960434    1.6181966   -0.3015343  0.00    0.0126052   -0.0026404    0.0047560
 H    1.0798077    0.6203265    0.1386775  0.00    0.0031285    0.0009736   -0.0014049
 C   -0.0171224    2.3709078   -0.4898137  0.00    0.0049567   -0.0039116    0.0021776
 C    0.0850452    3.7391845   -1.0841068  0.00   -0.0079736    0.0027212   -0.0046948
 H   -0.8852286    4.2357070   -1.2010664  0.00   -0.0115988   -0.0024485    0.0022268
 H    0.5584433    3.6983385   -2.0796104  0.00   -0.0026700    0.0006794    0.0033214
 H    0.7213588    4.3908813   -0.4612513  0.00   -0.0022451   -0.0017900   -0.0043257
 C   -1.2095140    1.7710812   -0.1076375  0.00    0.0027141   -0.0005533   -0.0050797
 H   -1.1688775    0.7594663    0.3096184  0.00   -0.0022007    0.0003608    0.0006045
 C   -2.4983944    2.3337027   -0.2118389  0.00   -0.0044228    0.0004425   -0.0038502
 H   -2.6378212    3.3487706   -0.5991237  0.00   -0.0010731    0.0058104   -0.0033362
 N   -3.5966612    1.6889220    0.1305734  0.00    0.0005960   -0.0000358   -0.0004756
 H   -3.4834309    0.7054219    0.4780833  0.00   -0.0010593    0.0025794    0.0010075
 C   -4.9274105    2.2412790    0.0670214  0.00   -0.0000675   -0.0014345   -0.0017091
 H   -4.9014734    3.1574205   -0.5450835  0.00   -0.0033362   -0.0020391   -0.0037217
 H   -5.5740210    1.5156535   -0.4527843  0.00    0.0001802   -0.0046948    0.0002338
 C   -5.5053423    2.5449367    1.4492637  0.00   -0.0007912   -0.0096923   -0.0046917
 H   -5.4784527    1.6220795    2.0544203  0.00   -0.0005687   -0.0007815    0.0023247
 H   -4.8461900    3.2682978    1.9603761  0.00    0.0001648    0.0060671    0.0098599
 C   -6.9311714    3.0803330    1.3848928  0.00    0.0019769   -0.0018617   -0.0069285
 H   -6.9487462    3.9948462    0.7663861  0.00    0.0005795    0.0034081   -0.0023022
 H   -7.5634457    2.3499446    0.8529565  0.00   -0.0012089    0.0018429    0.0027692
 C   -7.5297411    3.3761096    2.7515659  0.00   -0.0061583   -0.0103434   -0.0058922
 H   -8.5637411    3.7433432    2.6641046  0.00    0.0102603   -0.0020200    0.0008286
 H   -7.5555629    2.4718414    3.3805546  0.00    0.0009153    0.0018727    0.0018619
 H   -6.9493029    4.1386811    3.2949999  0.00    0.0070480    0.0022626   -0.0011779
 O   -5.6783666   -1.1476919   -0.9510673  0.00    0.0022553   -0.0011123   -0.0000767
 H   -4.8410377   -1.7124010   -0.6411073  0.00    0.0001337   -0.0042324    0.0170238
 C   -6.8017083   -1.6536824   -0.5418785  0.00   -0.0079095   -0.0146337    0.0017674
 O   -6.9907847   -2.6278085    0.1380838  0.00    0.0101479    0.0152643   -0.0094443
 C   -7.9945694   -0.8378159   -1.0890846  0.00   -0.0029145    0.0019705    0.0014867
 F   -7.8240005    0.4774975   -0.8998930  0.00    0.0022636   -0.0058130   -0.0003033
 F   -8.1351985   -1.0402939   -2.3983525  0.00    0.0046960    0.0003699   -0.0008352
 F   -9.1270566   -1.1872955   -0.4925654  0.00   -0.0001091   -0.0001835    0.0035629
 O   -2.8747431   -0.7584512    0.9953839  0.00   -0.0028047    0.0107730    0.0017484
 C   -2.8526730   -1.8866852    0.4861213  0.00   -0.0004728   -0.0179354    0.0003186
 O   -3.6631463   -2.4445041   -0.2784267  0.00   -0.0084787   -0.0014387   -0.0045278
 C   -1.6061360   -2.7222206    0.8664957  0.00    0.0028339   -0.0131374    0.0030617
 F   -1.5488108   -2.9214468    2.1858005  0.00    0.0014093   -0.0009867    0.0015104
 F   -1.5779626   -3.9178980    0.2783122  0.00   -0.0007698    0.0045568    0.0045564
 F   -0.4855487   -2.0758782    0.5108764  0.00    0.0026726    0.0009020    0.0000013
78
 Energy =   -2041.3857015123
 C    8.2357601   -1.5060823   -0.2972068  0.00   -0.0088797    0.0037686    0.0017834
 C    9.2848970   -2.4494841    0.1988412  0.00    0.0020723    0.0017560    0.0015438
 C   10.3559544   -1.8096753    1.0610022  0.00   -0.0034497    0.0035268   -0.0019422
 C   10.8063589   -0.5175346    0.4082703  0.00    0.0050792   -0.0091537   -0.0044653
 C    9.6766058    0.5172548    0.2871219  0.00    0.0062403    0.0013354   -0.0000089
 C   10.1433450    1.5975965   -0.7019260  0.00    0.0038031    0.0016644    0.0034045
 H    9.4878038    2.4791615   -0.7123921  0.00    0.0071578    0.0065923   -0.0004880
 H   10.2021674    1.2041840   -1.7284876  0.00    0.0012077    0.0001798   -0.0010145
 H   11.1490930    1.9415017   -0.4144624  0.00   -0.0015421    0.0020282   -0.0023253
 C    9.4168022    1.1809483    1.6520379  0.00    0.0093738    0.0036819    0.0021427
 H    8.6099634    1.9251983    1.5843421  0.00   -0.0026441    0.0023638    0.0014338
 H   10.3258290    1.6958303    2.0010735  0.00    0.0014828    0.0010786   -0.0000149
 H    9.1277031    0.4462305    2.4169286  0.00   -0.0033166   -0.0069663    0.0071422
 H   11.1934383   -0.7449081   -0.6014098  0.00   -0.0002670   -0.0098456   -0.0004979
 H   11.6445156   -0.0628569    0.9601471  0.00   -0.0043589    0.0070135    0.0049136
 H    9.9619526   -1.6115170    2.0722554  0.00   -0.0007627   -0.0007309   -0.0076148
 H   11.2033425   -2.5006830    1.1896946  0.00   -0.0045773   -0.0006268   -0.0014223
 H    8.7849110   -3.2844062    0.7246423  0.00   -0.0017345   -0.0014399   -0.0000326
 H    9.7420215   -2.9339032   -0.6897251  0.00    0.0008298    0.0022258    0.0084647
 C    7.0752665   -2.1781906   -0.9535508  0.00    0.0077304   -0.0061262   -0.0033240
 H    6.5313218   -1.5257721   -1.6478411  0.00    0.0025906    0.0026764    0.0009298
 H    6.3579474   -2.5540152   -0.1986513  0.00   -0.0011814   -0.0016353   -0.0101551
 H    7.4242538   -3.0689899   -1.5015651  0.00    0.0017292   -0.0051623   -0.0010625
 C    8.3682067   -0.1282491   -0.1907494  0.00   -0.0007776   -0.0070823   -0.0006328
 C    7.3052649    0.7978295   -0.5155199  0.00   -0.0061597   -0.0048827   -0.0030432
 H    7.6218149    1.7856002   -0.8586503  0.00    0.0003268    0.0009153    0.0032000
 C    5.9571922    0.6123294   -0.3415434  0.00   -0.0056513   -0.0010130   -0.0052610
 H    5.6006993   -0.3210183    0.1057651  0.00   -0.0004735    0.0156213    0.0012731
 C    4.9386266    1.5835350   -0.6653747  0.00   -0.0000823    0.0023041    0.0058701
 C    5.3528196    2.8812576   -1.2858507  0.00   -0.0097372    0.0047401   -0.0033573
 H    4.4969720    3.5084657   -1.5624608  0.00    0.0007521   -0.0036571    0.0022246
 H    5.9428247    2.7083942   -2.2001724  0.00    0.0037938   -0.0014403   -0.0073940
 H    5.9899786    3.4662476   -0.6002602  0.00   -0.0060267   -0.0038777   -0.0006318
 C    3.6297304    1.2503513   -0.3896937  0.00    0.0048632    0.0061928   -0.0087630
 H    3.4536548    0.2665924    0.0622990  0.00    0.0014800   -0.0040574    0.0064898
 C    2.4592106    2.0446322   -0.6241961  0.00    0.0014573    0.0001162    0.0008961
 H    2.5879364    3.0289159   -1.0796841  0.00    0.0002998    0.0020929    0.0012497
 C    1.1961703    1.6186136   -0.3006821  0.00    0.0124478   -0.0022042    0.0022773
 H    1.0810524    0.6209839    0.1398851  0.00    0.0001866   -0.0014133    0.0007256
 C   -0.0171921    2.3707917   -0.4898080  0.00    0.0038190   -0.0018638    0.0010591
 C    0.0847515    3.7388762   -1.0848957  0.00   -0.0083323   -0.0009642    0.0029377
 H   -0.8857606    4.2348153   -1.2021855  0.00   -0.0107563   -0.0012874    0.0020941
 H    0.5585135    3.6973026   -2.0797552  0.00   -0.0007873    0.0012069   -0.0028117
 H    0.7212159    4.3903074   -0.4619304  0.00   -0.0035018    0.0000544   -0.0049209
 C   -1.2096645    1.7710252   -0.1081340  0.00   -0.0003388   -0.0006445   -0.0044367
 H   -1.1689888    0.7595403    0.3091897  0.00   -0.0020648   -0.0011696    0.0015748
 C   -2.4989621    2.3330901   -0.2126676  0.00   -0.0018684    0.0017625   -0.0044083
 H   -2.6387111    3.3483418   -0.6000353  0.00   -0.0014101    0.0017261   -0.0020156
 N   -3.5968562    1.6875613    0.1298323  0.00    0.0045516    0.0046968   -0.0030895
 H   -3.4827836    0.7042477    0.4775442  0.00   -0.0022177    0.0024946    0.0002306
 C   -4.9278200    2.2391637    0.0658545  0.00   -0.0054006   -0.0069338   -0.0026225
 H   -4.9033807    3.1548147   -0.5468867  0.00   -0.0005514   -0.0006788   -0.0039473
 H   -5.5738502    1.5126165   -0.4538724  0.00    0.0018688   -0.0023592    0.0035437
 C   -5.5055312    2.5431105    1.4480586  0.00   -0.0005574   -0.0003042   -0.0006815
 H   -5.4779624    1.6208997    2.0539761  0.00   -0.0019842   -0.0027803    0.0021790
 H   -4.8461989    3.2671353    1.9590147  0.00   -0.0032984    0.0013044    0.0057493
 C   -6.9314046    3.0793418    1.3844197  0.00    0.0043438   -0.0015569   -0.0046077
 H   -6.9484844    3.9941058    0.7662035  0.00    0.0005604    0.0028537   -0.0019595
 H   -7.5647985    2.3499058    0.8525985  0.00   -0.0005726    0.0005302    0.0028901
 C   -7.5289743    3.3754778    2.7516377  0.00    0.0046827   -0.0085420   -0.0030252
 H   -8.5623410    3.7434916    2.6652914  0.00    0.0032103   -0.0021297   -0.0000601
 H   -7.5535706    2.4718082    3.3814979  0.00   -0.0016805    0.0003764    0.0002250
 H   -6.9480027    4.1380266    3.2949072  0.00    0.0070786    0.0012944   -0.0043019
 O   -5.6757990   -1.1489456   -0.9494169  0.00   -0.0042063    0.0018775   -0.0014570
 H   -4.8390916   -1.7147955   -0.6391964  0.00    0.0002538   -0.0037787    0.0167259
 C   -6.7999053   -1.6542990   -0.5410915  0.00    0.0039663   -0.0020073   -0.0095898
 O   -6.9890478   -2.6286591    0.1377935  0.00    0.0012872    0.0014679    0.0009895
 C   -7.9915381   -0.8368452   -1.0886537  0.00    0.0039253    0.0000860   -0.0038100
 F   -7.8184382    0.4779790   -0.8998303  0.00   -0.0001313   -0.0011620    0.0028362
 F   -8.1314750   -1.0386299   -2.3982905  0.00    0.0025035   -0.0022932    0.0022404
 F   -9.1245836   -1.1845112   -0.4926287  0.00   -0.0034821   -0.0006390    0.0037582
 O   -2.8731532   -0.7590734    0.9939973  0.00   -0.0001346    0.0070775    0.0011215
 C   -2.8520384   -1.8881993    0.4867078  0.00   -0.0012143   -0.0227277    0.0032294
 O   -3.6634560   -2.4468841   -0.2763964  0.00   -0.0036700   -0.0016196   -0.0029285
 C   -1.6065293   -2.7254361    0.8684232  0.00    0.0024092   -0.0075230    0.0023687
 F   -1.5494481   -2.9238959    2.1877710  0.00   -0.0010175    0.0001847    0.0041154
 F   -1.5796455   -3.9214150    0.2813009  0.00   -0.0030150    0.0002881    0.0017127
 F   -0.4849976   -2.0811100    0.5126178  0.00    0.0050738    0.0040517   -0.0011296
78
 Energy =   -2041.3857263364
 C    8.2344073   -1.5050890   -0.2975333  0.00   -0.0003136   -0.0048575    0.0040029
 C    9.2821376   -2.4490113    0.2008400  0.00   -0.0061689   -0.0012049    0.0058234
 C   10.3541847   -1.8095792    1.0621463  0.00   -0.0055056   -0.0004678   -0.0045740
 C   10.8058252   -0.5180245    0.4087929  0.00   -0.0054211   -0.0092466   -0.0072147
 C    9.6763124    0.5178029    0.2872725  0.00    0.0116963   -0.0026212    0.0021495
 C   10.1436636    1.5983632   -0.7015381  0.00   -0.0004686    0.0023904    0.0024083
 H    9.4862870    2.4789289   -0.7140984  0.00    0.0110192    0.0026950   -0.0001735
 H   10.2052229    1.2041173   -1.7277239  0.00    0.0003219    0.0008903    0.0001313
 H   11.1483072    1.9445071   -0.4129551  0.00   -0.0016065    0.0009204   -0.0005549
 C    9.4161733    1.1812137    1.6525208  0.00    0.0006815   -0.0029313    0.0005809
 H    8.6080946    1.9241929    1.5842750  0.00   -0.0001157    0.0035156    0.0023352
 H   10.3245776    1.6967574    2.0016194  0.00    0.0030438    0.0022470    0.0011338
 H    9.1267452    0.4460273    2.4174093  0.00    0.0000625   -0.0030716    0.0027290
 H   11.1915649   -0.7466209   -0.6009203  0.00    0.0004660   -0.0102942   -0.0036182
 H   11.6453407   -0.0644100    0.9588962  0.00   -0.0031769    0.0101271    0.0093844
 H    9.9605859   -1.6122928    2.0736245  0.00    0.0009759    0.0025503   -0.0063560
 H   11.2003419   -2.5021891    1.1894356  0.00   -0.0016256    0.0004260    0.0009034
 H    8.7800625   -3.2825689    0.7281352  0.00    0.0032791    0.0058723   -0.0033616
 H    9.7381151   -2.9360479   -0.6864677  0.00    0.0036330    0.0006417    0.0046160
 C    7.0752152   -2.1769221   -0.9556928  0.00   -0.0018435   -0.0071082   -0.0020584
 H    6.5321568   -1.5232273   -1.6496011  0.00    0.0037465   -0.0011163   -0.0013881
 H    6.3562734   -2.5525460   -0.2020797  0.00   -0.0001106   -0.0001124   -0.0092747
 H    7.4234123   -3.0688708   -1.5026819  0.00    0.0034475    0.0001502   -0.0020913
 C    8.3678551   -0.1275560   -0.1916627  0.00    0.0003379    0.0001931    0.0005436
 C    7.3053335    0.7985468   -0.5177345  0.00   -0.0068410   -0.0052369   -0.0011690
 H    7.6223231    1.7859365   -0.8620063  0.00   -0.0024214   -0.0011139    0.0040864
 C    5.9572948    0.6129015   -0.3425300  0.00   -0.0027781    0.0022675   -0.0045625
 H    5.6006465   -0.3197230    0.1062201  0.00    0.0017896    0.0149142    0.0006688
 C    4.9386286    1.5838768   -0.6659206  0.00    0.0010129    0.0094656   -0.0009392
 C    5.3522738    2.8818226   -1.2872521  0.00   -0.0053868   -0.0079216   -0.0039988
 H    4.4962836    3.5061880   -1.5680978  0.00   -0.0048507    0.0002288   -0.0003118
 H    5.9468946    2.7087684   -2.1988842  0.00    0.0005200    0.0000715   -0.0029554
 H    5.9844848    3.4688802   -0.5993711  0.00   -0.0015646   -0.0004178    0.0010462
 C    3.6299687    1.2509918   -0.3896237  0.00    0.0021145    0.0004335   -0.0052635
 H    3.4542263    0.2674002    0.0634033  0.00    0.0015265   -0.0009889    0.0049652
 C    2.4591896    2.0448472   -0.6242373  0.00    0.0051374    0.0017110   -0.0000262
 H    2.5875596    3.0284382   -1.0811967  0.00    0.0004035    0.0032190    0.0014036
 C    1.1966029    1.6189986   -0.2996085  0.00    0.0069135    0.0001514   -0.0006820
 H    1.0823086    0.6217112    0.1414817  0.00   -0.0018436   -0.0037504    0.0028281
 C   -0.0171224    2.3707262   -0.4897494  0.00    0.0019795   -0.0022411   -0.0005439
 C    0.0843225    3.7385693   -1.0857605  0.00   -0.0069051   -0.0040184    0.0037998
 H   -0.8867405    4.2335384   -1.2033807  0.00   -0.0079624   -0.0003027    0.0023736
 H    0.5587874    3.6971618   -2.0803478  0.00   -0.0024827   -0.0000340   -0.0027864
 H    0.7209236    4.3897951   -0.4628808  0.00   -0.0048166    0.0030882   -0.0039646
 C   -1.2098866    1.7710287   -0.1087977  0.00   -0.0013713   -0.0017985   -0.0033507
 H   -1.1695402    0.7595885    0.3088305  0.00   -0.0013016   -0.0005238    0.0014895
 C   -2.4997143    2.3323722   -0.2139494  0.00    0.0025773    0.0066420   -0.0065112
 H   -2.6402932    3.3479619   -0.6012205  0.00   -0.0004178   -0.0044857   -0.0001849
 N   -3.5970380    1.6858555    0.1282247  0.00   -0.0037238    0.0079157   -0.0026523
 H   -3.4825795    0.7027812    0.4764794  0.00   -0.0008435    0.0027499   -0.0014409
 C   -4.9289395    2.2364282    0.0641514  0.00    0.0023096   -0.0077939   -0.0003882
 H   -4.9058206    3.1516417   -0.5493574  0.00    0.0008369   -0.0010051   -0.0032349
 H   -5.5738028    1.5087287   -0.4551637  0.00    0.0000323   -0.0027878    0.0048108
 C   -5.5059799    2.5409305    1.4465866  0.00   -0.0011276    0.0023358    0.0010010
 H   -5.4780328    1.6193407    2.0534948  0.00   -0.0025610   -0.0031097    0.0004957
 H   -4.8469960    3.2656633    1.9574234  0.00   -0.0028864   -0.0014792    0.0024609
 C   -6.9316042    3.0780173    1.3837628  0.00    0.0042853    0.0025117   -0.0011313
 H   -6.9479498    3.9932779    0.7659458  0.00   -0.0002044    0.0002192   -0.0006160
 H   -7.5666000    2.3498195    0.8525282  0.00   -0.0004357   -0.0019560    0.0011027
 C   -7.5277426    3.3746422    2.7516429  0.00    0.0059092   -0.0038633   -0.0012581
 H   -8.5607076    3.7435288    2.6666819  0.00   -0.0002815   -0.0013564   -0.0024074
 H   -7.5530088    2.4718282    3.3824731  0.00    0.0000148   -0.0030130   -0.0006173
 H   -6.9463618    4.1372828    3.2945305  0.00    0.0083164   -0.0000298   -0.0058156
 O   -5.6729662   -1.1501352   -0.9474980  0.00   -0.0045296   -0.0005447    0.0001806
 H   -4.8369944   -1.7178044   -0.6366046  0.00   -0.0010941    0.0001445    0.0141597
 C   -6.7977696   -1.6550190   -0.5402595  0.00    0.0103596    0.0108288   -0.0198357
 O   -6.9874576   -2.6296838    0.1374109  0.00   -0.0049006   -0.0104431    0.0098806
 C   -7.9879032   -0.8356331   -1.0883377  0.00    0.0042942   -0.0062211    0.0027136
 F   -7.8125009    0.4784799   -0.8986307  0.00   -0.0010618    0.0045067    0.0011091
 F   -8.1267972   -1.0369370   -2.3980986  0.00   -0.0010021   -0.0016429    0.0029259
 F   -9.1219970   -1.1813000   -0.4926231  0.00   -0.0011706   -0.0014607   -0.0009813
 O   -2.8708660   -0.7599532    0.9924961  0.00    0.0027711   -0.0127990   -0.0052987
 C   -2.8509847   -1.8907028    0.4876302  0.00   -0.0026895   -0.0111629    0.0093469
 O   -3.6636610   -2.4500050   -0.2740353  0.00    0.0041532   -0.0011219    0.0023199
 C   -1.6064684   -2.7298618    0.8710098  0.00   -0.0021168    0.0090898    0.0060370
 F   -1.5502672   -2.9269390    2.1908746  0.00   -0.0004925    0.0015648   -0.0019262
 F   -1.5823782   -3.9260493    0.2853465  0.00    0.0009891   -0.0054529   -0.0014129
 F   -0.4835411   -2.0873286    0.5148749  0.00   -0.0019317   -0.0027215    0.0010935
78
 Energy =   -2041.3857401010
 C    8.2332698   -1.5044781   -0.2976107  0.00    0.0059950   -0.0081868    0.0045733
 C    9.2796941   -2.4487813    0.2025507  0.00   -0.0054279    0.0020746    0.0025056
 C   10.3524081   -1.8096340    1.0627672  0.00   -0.0029869   -0.0008809   -0.0038570
 C   10.8051287   -0.5187438    0.4087732  0.00   -0.0047722   -0.0048954   -0.0005649
 C    9.6764376    0.5180481    0.2874736  0.00    0.0063958   -0.0021412    0.0001300
 C   10.1438920    1.5989587   -0.7011839  0.00   -0.0038928    0.0072080    0.0047388
 H    9.4851476    2.4789782   -0.7156359  0.00    0.0145890   -0.0030589    0.0012347
 H   10.2078134    1.2045316   -1.7269716  0.00   -0.0003109   -0.0009821   -0.0024582
 H   11.1475375    1.9471491   -0.4116904  0.00   -0.0010021   -0.0001762    0.0010249
 C    9.4158296    1.1812393    1.6529521  0.00   -0.0079222   -0.0042448    0.0017909
 H    8.6065504    1.9234668    1.5848496  0.00    0.0053878    0.0009248    0.0013599
 H   10.3236381    1.6975559    2.0023215  0.00    0.0034883    0.0019739    0.0013511
 H    9.1259965    0.4458697    2.4179960  0.00    0.0034360   -0.0005060   -0.0012642
 H   11.1899400   -0.7483278   -0.6006973  0.00    0.0018797   -0.0105884   -0.0088618
 H   11.6457903   -0.0655653    0.9580230  0.00   -0.0069089    0.0080005    0.0083483
 H    9.9597149   -1.6124772    2.0743820  0.00    0.0002900    0.0050192   -0.0033362
 H   11.1977449   -2.5031230    1.1894046  0.00    0.0011924   -0.0003514    0.0019319
 H    8.7766404   -3.2808390    0.7307497  0.00    0.0016070    0.0029489   -0.0011725
 H    9.7354294   -2.9375495   -0.6837102  0.00    0.0038056   -0.0005826    0.0019418
 C    7.0752342   -2.1760855   -0.9574062  0.00   -0.0063532   -0.0088432   -0.0013832
 H    6.5334393   -1.5212477   -1.6510731  0.00    0.0024808   -0.0028784   -0.0046362
 H    6.3549090   -2.5513923   -0.2049259  0.00    0.0000851    0.0001491   -0.0086813
 H    7.4232396   -3.0687566   -1.5038360  0.00    0.0034575    0.0052550   -0.0013563
 C    8.3676614   -0.1270499   -0.1923594  0.00    0.0000003    0.0024918    0.0014852
 C    7.3052402    0.7988159   -0.5196048  0.00   -0.0045904   -0.0028172    0.0013443
 H    7.6223050    1.7861150   -0.8641554  0.00   -0.0029928   -0.0016661    0.0035015
 C    5.9572884    0.6134767   -0.3434559  0.00   -0.0005320    0.0024763   -0.0027567
 H    5.6007082   -0.3184985    0.1065670  0.00    0.0020455    0.0134657    0.0002908
 C    4.9386355    1.5844352   -0.6663803  0.00   -0.0006333    0.0062761   -0.0041312
 C    5.3516489    2.8818345   -1.2884112  0.00    0.0019573   -0.0051515   -0.0070393
 H    4.4956182    3.5043067   -1.5725736  0.00   -0.0076263    0.0014173   -0.0020452
 H    5.9501188    2.7089833   -2.1980121  0.00   -0.0034124    0.0011078    0.0025614
 H    5.9798980    3.4709430   -0.5986320  0.00    0.0003406   -0.0000080   -0.0003006
 C    3.6302222    1.2515412   -0.3896368  0.00    0.0016083   -0.0054261   -0.0011314
 H    3.4550315    0.2679677    0.0643433  0.00    0.0011709    0.0035116    0.0027141
 C    2.4593621    2.0451152   -0.6242706  0.00    0.0043349    0.0028391   -0.0004507
 H    2.5873641    3.0282759   -1.0823252  0.00    0.0004504    0.0028931    0.0020166
 C    1.1970761    1.6193516   -0.2987641  0.00    0.0016387   -0.0032026   -0.0008549
 H    1.0830186    0.6220201    0.1428835  0.00   -0.0015753   -0.0000046    0.0018047
 C   -0.0170182    2.3706182   -0.4897183  0.00   -0.0003659   -0.0038885   -0.0007201
 C    0.0838247    3.7381061   -1.0863530  0.00   -0.0054815    0.0005028    0.0013366
 H   -0.8878093    4.2324892   -1.2040262  0.00   -0.0035492   -0.0014765    0.0024385
 H    0.5587700    3.6971339   -2.0810140  0.00   -0.0052452   -0.0011586    0.0003608
 H    0.7203680    4.3897704   -0.4636857  0.00   -0.0066288    0.0028428   -0.0043432
 C   -1.2101609    1.7710478   -0.1094342  0.00   -0.0015117   -0.0023353   -0.0024971
 H   -1.1703335    0.7596683    0.3086013  0.00   -0.0004105    0.0002122    0.0010326
 C   -2.5003084    2.3320015   -0.2152471  0.00    0.0012175   -0.0018087   -0.0029299
 H   -2.6418481    3.3473158   -0.6021799  0.00    0.0001548   -0.0007007   -0.0022202
 N   -3.5974331    1.6845352    0.1266251  0.00    0.0005672    0.0099521   -0.0016061
 H   -3.4826027    0.7017905    0.4754914  0.00    0.0007736    0.0028469   -0.0029367
 C   -4.9297006    2.2341131    0.0627913  0.00    0.0011114   -0.0055148    0.0000659
 H   -4.9075569    3.1490223   -0.5513968  0.00    0.0009422   -0.0022141   -0.0021166
 H   -5.5738892    1.5054223   -0.4560525  0.00   -0.0004180   -0.0013479    0.0063034
 C   -5.5065574    2.5392930    1.4454360  0.00    0.0015755   -0.0004498    0.0002990
 H   -5.4786831    1.6179947    2.0530427  0.00   -0.0022904   -0.0016154   -0.0013301
 H   -4.8479720    3.2644741    1.9561387  0.00   -0.0005699   -0.0025001    0.0013473
 C   -6.9316502    3.0770504    1.3832687  0.00   -0.0002502    0.0021697   -0.0015147
 H   -6.9477628    3.9925945    0.7657509  0.00   -0.0003749   -0.0008121   -0.0001725
 H   -7.5681473    2.3496510    0.8526407  0.00    0.0015061   -0.0019285    0.0006607
 C   -7.5264815    3.3739104    2.7515808  0.00   -0.0002811   -0.0009913   -0.0001143
 H   -8.5593099    3.7435534    2.6672015  0.00    0.0003609   -0.0018508   -0.0028615
 H   -7.5526148    2.4716647    3.3832199  0.00    0.0018902   -0.0037832   -0.0022976
 H   -6.9449606    4.1366907    3.2938773  0.00    0.0106867    0.0006069   -0.0047305
 O   -5.6709438   -1.1510441   -0.9459734  0.00    0.0054991   -0.0020511    0.0004753
 H   -4.8355945   -1.7201114   -0.6343976  0.00   -0.0000620    0.0026895    0.0117047
 C   -6.7958227   -1.6554409   -0.5397933  0.00   -0.0020955   -0.0008977   -0.0097045
 O   -6.9868836   -2.6307053    0.1372714  0.00   -0.0013357    0.0002771    0.0023351
 C   -7.9848939   -0.8348169   -1.0878811  0.00   -0.0023799   -0.0044174    0.0043869
 F   -7.8083700    0.4791995   -0.8974574  0.00   -0.0003722    0.0022149   -0.0015913
 F   -8.1233098   -1.0358343   -2.3978067  0.00   -0.0015691    0.0001111    0.0051055
 F   -9.1199467   -1.1789188   -0.4926516  0.00    0.0028536   -0.0028837   -0.0034249
 O   -2.8685085   -0.7612198    0.9912611  0.00    0.0017868   -0.0150605   -0.0047422
 C   -2.8500553   -1.8929956    0.4885719  0.00   -0.0006690   -0.0087811    0.0077955
 O   -3.6634799   -2.4526523   -0.2721604  0.00    0.0046956   -0.0009691    0.0045049
 C   -1.6064120   -2.7330887    0.8733107  0.00   -0.0034529    0.0080626   -0.0012971
 F   -1.5511032   -2.9288222    2.1931892  0.00    0.0007567    0.0005023    0.0005018
 F   -1.5841092   -3.9300670    0.2885509  0.00    0.0028125   -0.0011561    0.0016492
 F   -0.4823739   -2.0924251    0.5167494  0.00   -0.0059716   -0.0050525    0.0023926
78
 Energy =   -2041.3857659956
 C    8.2323968   -1.5042783   -0.2974172  0.00    0.0015692    0.0014187    0.0000101
 C    9.2771145   -2.4484608    0.2042053  0.00    0.0043526   -0.0005786   -0.0036047
 C   10.3503427   -1.8097943    1.0631600  0.00    0.0044031    0.0003316    0.0039968
 C   10.8040594   -0.5197044    0.4085955  0.00    0.0038278    0.0012236    0.0010666
 C    9.6766434    0.5182145    0.2876445  0.00   -0.0063586    0.0002197   -0.0007146
 C   10.1438349    1.5998422   -0.7006849  0.00   -0.0026667   -0.0009419    0.0022892
 H    9.4841935    2.4789597   -0.7161267  0.00    0.0123106   -0.0018144    0.0013658
 H   10.2095350    1.2048130   -1.7264129  0.00   -0.0009001    0.0014108    0.0012402
 H   11.1465537    1.9495746   -0.4103827  0.00    0.0015513   -0.0005734    0.0021824
 C    9.4151151    1.1810532    1.6535991  0.00   -0.0016157    0.0006051   -0.0005396
 H    8.6050673    1.9227422    1.5860111  0.00    0.0081062   -0.0005516   -0.0006853
 H   10.3228482    1.6983015    2.0032245  0.00   -0.0024614   -0.0017736   -0.0005568
 H    9.1255134    0.4456954    2.4185409  0.00    0.0040371   -0.0030196   -0.0002304
 H   11.1886912   -0.7504400   -0.6007572  0.00    0.0003437   -0.0085467   -0.0088237
 H   11.6455199   -0.0665426    0.9573114  0.00   -0.0102842    0.0040834    0.0065484
 H    9.9586421   -1.6116535    2.0748367  0.00   -0.0008441    0.0052443   -0.0013902
 H   11.1952152   -2.5040061    1.1900639  0.00   -0.0001305    0.0010912    0.0013221
 H    8.7734751   -3.2789867    0.7331295  0.00   -0.0022612   -0.0039436    0.0026784
 H    9.7333216   -2.9388202   -0.6810664  0.00    0.0011090   -0.0007724    0.0018367
 C    7.0751374   -2.1756395   -0.9590504  0.00   -0.0018026   -0.0073068   -0.0011130
 H    6.5351073   -1.5195627   -1.6526399  0.00   -0.0000330   -0.0035401   -0.0081302
 H    6.3536392   -2.5503236   -0.2077477  0.00   -0.0024699   -0.0017550   -0.0064041
 H    7.4236206   -3.0685755   -1.5052231  0.00    0.0020342    0.0091539    0.0000847
 C    8.3674106   -0.1265274   -0.1928245  0.00   -0.0010693   -0.0026460    0.0008404
 C    7.3048682    0.7989220   -0.5212775  0.00    0.0012996   -0.0017980    0.0043389
 H    7.6215814    1.7861999   -0.8656163  0.00   -0.0009639    0.0007964    0.0011436
 C    5.9571373    0.6141125   -0.3444847  0.00   -0.0002751    0.0011474    0.0006605
 H    5.6007214   -0.3170828    0.1068832  0.00    0.0009120    0.0100561    0.0003959
 C    4.9385042    1.5850994   -0.6668599  0.00   -0.0007761   -0.0011270   -0.0070349
 C    5.3509827    2.8816123   -1.2896124  0.00    0.0006242    0.0068244   -0.0055689
 H    4.4946836    3.5025845   -1.5768691  0.00   -0.0059340   -0.0004736   -0.0019665
 H    5.9524603    2.7092892   -2.1971526  0.00   -0.0021084    0.0001231    0.0016536
 H    5.9755172    3.4727123   -0.5979972  0.00    0.0014714   -0.0001039   -0.0026366
 C    3.6304918    1.2518439   -0.3897016  0.00    0.0012530   -0.0019855    0.0006309
 H    3.4561197    0.2687087    0.0652888  0.00   -0.0007614    0.0022914    0.0026783
 C    2.4597345    2.0455160   -0.6242565  0.00   -0.0011083    0.0002668    0.0005551
 H    2.5873825    3.0284093   -1.0832061  0.00    0.0002926    0.0012801    0.0030383
 C    1.1976497    1.6195100   -0.2979284  0.00   -0.0025825   -0.0021554   -0.0026313
 H    1.0836224    0.6222301    0.1442757  0.00   -0.0004386    0.0027932    0.0007725
 C   -0.0169073    2.3702503   -0.4897096  0.00   -0.0021723   -0.0037610    0.0005591
 C    0.0830290    3.7376127   -1.0867996  0.00   -0.0031445    0.0003837   -0.0008494
 H   -0.8891814    4.2311172   -1.2041062  0.00   -0.0016299   -0.0017800    0.0011513
 H    0.5580891    3.6963391   -2.0816306  0.00   -0.0074715    0.0000304    0.0030339
 H    0.7191387    4.3900953   -0.4645053  0.00   -0.0064360    0.0022833   -0.0045143
 C   -1.2104874    1.7709222   -0.1101543  0.00   -0.0007360   -0.0018075   -0.0017877
 H   -1.1713777    0.7597748    0.3084369  0.00    0.0007225   -0.0007232    0.0008543
 C   -2.5008491    2.3316124   -0.2166632  0.00    0.0030402   -0.0044715   -0.0019402
 H   -2.6433298    3.3467566   -0.6034502  0.00    0.0011951    0.0004262   -0.0031785
 N   -3.5976471    1.6834168    0.1249499  0.00    0.0015039    0.0082703    0.0010910
 H   -3.4824120    0.7011505    0.4743939  0.00    0.0023428    0.0013299   -0.0037594
 C   -4.9303004    2.2317668    0.0615271  0.00    0.0006811   -0.0024775    0.0018789
 H   -4.9089483    3.1461918   -0.5533881  0.00   -0.0000317   -0.0016869   -0.0019089
 H   -5.5738537    1.5020932   -0.4565512  0.00   -0.0016247   -0.0011372    0.0064048
 C   -5.5069359    2.5376764    1.4443440  0.00    0.0001290   -0.0030066   -0.0015953
 H   -5.4798559    1.6165846    2.0525430  0.00   -0.0007045    0.0001281   -0.0029557
 H   -4.8489775    3.2632724    1.9549977  0.00    0.0031867   -0.0029896    0.0011864
 C   -6.9316178    3.0762018    1.3826976  0.00   -0.0024299   -0.0014241   -0.0031342
 H   -6.9477434    3.9918986    0.7654594  0.00   -0.0000778   -0.0006574   -0.0005040
 H   -7.5694662    2.3493870    0.8527432  0.00    0.0035126   -0.0015328    0.0001708
 C   -7.5251070    3.3730788    2.7513824  0.00   -0.0053376    0.0014360   -0.0013773
 H   -8.5577756    3.7433973    2.6666652  0.00    0.0010575   -0.0036968   -0.0000990
 H   -7.5509453    2.4711946    3.3836690  0.00    0.0011170   -0.0028389   -0.0038311
 H   -6.9434094    4.1362005    3.2925969  0.00    0.0128053    0.0023798   -0.0022536
 O   -5.6685777   -1.1520622   -0.9445337  0.00    0.0042756   -0.0019144    0.0004789
 H   -4.8341620   -1.7221800   -0.6321041  0.00    0.0031234    0.0023297    0.0099489
 C   -6.7939512   -1.6558850   -0.5394931  0.00   -0.0058119   -0.0118426    0.0026693
 O   -6.9861877   -2.6316315    0.1372175  0.00    0.0011939    0.0119286   -0.0068146
 C   -7.9821471   -0.8341931   -1.0872547  0.00   -0.0041082    0.0014636   -0.0000974
 F   -7.8048098    0.4799742   -0.8967992  0.00    0.0007018   -0.0018501   -0.0011176
 F   -8.1203205   -1.0348103   -2.3972619  0.00   -0.0012302   -0.0002435    0.0036824
 F   -9.1177339   -1.1770578   -0.4927389  0.00    0.0013560   -0.0048594   -0.0007592
 O   -2.8660645   -0.7629784    0.9898011  0.00   -0.0006418    0.0004120    0.0029166
 C   -2.8492358   -1.8953643    0.4895992  0.00    0.0042314   -0.0154017    0.0018568
 O   -3.6631101   -2.4553337   -0.2702220  0.00   -0.0012293   -0.0050833    0.0019020
 C   -1.6066037   -2.7357524    0.8753578  0.00    0.0000508   -0.0068422   -0.0003927
 F   -1.5518123   -2.9302954    2.1954820  0.00   -0.0006672    0.0004492    0.0011441
 F   -1.5848745   -3.9337445    0.2917630  0.00   -0.0005243    0.0023163    0.0042141
 F   -0.4817950   -2.0975095    0.5186210  0.00   -0.0012264    0.0021958    0.0001675
78
 Energy =   -2041.3857827661
 C    8.2316619   -1.5039554   -0.2973237  0.00   -0.0041560    0.0045022   -0.0052368
 C    9.2750433   -2.4480990    0.2057553  0.00    0.0059060   -0.0072374   -0.0018789
 C   10.3487983   -1.8098163    1.0639737  0.00    0.0042855    0.0024457    0.0071703
 C   10.8032999   -0.5205325    0.4085274  0.00    0.0033419    0.0026165   -0.0051002
 C    9.6765287    0.5184426    0.2878298  0.00   -0.0111880   -0.0014059   -0.0009071
 C   10.1436682    1.6006137   -0.7000727  0.00    0.0021993   -0.0092534    0.0039142
 H    9.4834380    2.4786833   -0.7154530  0.00    0.0072906    0.0042129    0.0001367
 H   10.2103346    1.2054241   -1.7257568  0.00   -0.0006512    0.0029287    0.0022797
 H   11.1457510    1.9515999   -0.4089123  0.00    0.0014472   -0.0021821    0.0017196
 C    9.4143256    1.1810296    1.6542094  0.00    0.0059593    0.0005347   -0.0043420
 H    8.6037479    1.9220614    1.5869716  0.00    0.0075814    0.0002232   -0.0018665
 H   10.3219665    1.6989721    2.0038408  0.00   -0.0057712   -0.0035587   -0.0015461
 H    9.1254800    0.4454339    2.4189509  0.00    0.0032732   -0.0049977    0.0016044
 H   11.1878020   -0.7527987   -0.6009643  0.00   -0.0028789   -0.0045558   -0.0039604
 H   11.6449161   -0.0675071    0.9566162  0.00   -0.0064329    0.0047593    0.0085499
 H    9.9575012   -1.6101367    2.0754559  0.00   -0.0010210    0.0040978   -0.0004320
 H   11.1928977   -2.5048587    1.1913106  0.00    0.0005110    0.0017518    0.0015417
 H    8.7699751   -3.2773378    0.7357251  0.00   -0.0000751   -0.0027577    0.0013083
 H    9.7315072   -2.9402669   -0.6784204  0.00   -0.0006929   -0.0010444    0.0015893
 C    7.0749010   -2.1753729   -0.9608244  0.00    0.0038322   -0.0009864    0.0013177
 H    6.5364738   -1.5183993   -1.6548184  0.00   -0.0005768   -0.0049082   -0.0090723
 H    6.3520761   -2.5493301   -0.2106189  0.00   -0.0032054   -0.0032617   -0.0056751
 H    7.4242314   -3.0682691   -1.5066220  0.00    0.0008933    0.0101147    0.0007194
 C    8.3670352   -0.1260161   -0.1932204  0.00    0.0000000   -0.0071812    0.0012784
 C    7.3045133    0.7989547   -0.5225822  0.00    0.0048241    0.0044294    0.0038627
 H    7.6206775    1.7863648   -0.8670232  0.00    0.0010442    0.0005391    0.0002032
 C    5.9569521    0.6147560   -0.3454647  0.00    0.0003094    0.0000117    0.0036378
 H    5.6007470   -0.3155931    0.1072254  0.00   -0.0009581    0.0054936    0.0010238
 C    4.9383540    1.5856479   -0.6675135  0.00    0.0006465   -0.0020124   -0.0102680
 C    5.3504310    2.8819373   -1.2908934  0.00   -0.0067816    0.0072360   -0.0008927
 H    4.4936315    3.5008793   -1.5814554  0.00   -0.0040715   -0.0008291   -0.0011918
 H    5.9544952    2.7096483   -2.1961623  0.00    0.0021863   -0.0007629   -0.0034628
 H    5.9715095    3.4745308   -0.5976534  0.00    0.0033071    0.0022482   -0.0027602
 C    3.6307686    1.2520491   -0.3897165  0.00   -0.0009620    0.0061325    0.0000108
 H    3.4569161    0.2696056    0.0662589  0.00   -0.0022052   -0.0019557    0.0037880
 C    2.4600175    2.0459149   -0.6241857  0.00   -0.0045973   -0.0027071    0.0013602
 H    2.5874424    3.0286249   -1.0839164  0.00   -0.0003552   -0.0011008    0.0042730
 C    1.1981139    1.6195485   -0.2972025  0.00   -0.0054333    0.0041546   -0.0054253
 H    1.0841144    0.6227366    0.1457409  0.00    0.0004805    0.0005362    0.0013053
 C   -0.0169165    2.3697191   -0.4896936  0.00   -0.0008618    0.0003329   -0.0000588
 C    0.0821274    3.7371797   -1.0872694  0.00   -0.0042401   -0.0035082    0.0054369
 H   -0.8905823    4.2295462   -1.2040925  0.00   -0.0029079   -0.0006682   -0.0004966
 H    0.5567945    3.6956616   -2.0818548  0.00   -0.0051076    0.0007627   -0.0025108
 H    0.7174436    4.3907146   -0.4653803  0.00   -0.0049249    0.0017085   -0.0038225
 C   -1.2107647    1.7705775   -0.1108465  0.00    0.0002257   -0.0034823   -0.0004178
 H   -1.1720696    0.7596328    0.3082976  0.00    0.0011228   -0.0011655    0.0005771
 C   -2.5012204    2.3310192   -0.2180805  0.00    0.0037577   -0.0015681   -0.0022954
 H   -2.6441489    3.3461505   -0.6050558  0.00    0.0016455   -0.0015465   -0.0026965
 N   -3.5977087    1.6824348    0.1236265  0.00    0.0027834    0.0063192    0.0015063
 H   -3.4816774    0.7005577    0.4730347  0.00    0.0020758   -0.0016176   -0.0028308
 C   -4.9307740    2.2293886    0.0604035  0.00   -0.0010420   -0.0019019    0.0015307
 H   -4.9102648    3.1431718   -0.5554412  0.00   -0.0010245   -0.0006687   -0.0014456
 H   -5.5738854    1.4986370   -0.4567586  0.00   -0.0008461   -0.0003818    0.0065811
 C   -5.5072113    2.5358863    1.4431891  0.00   -0.0016769    0.0006755    0.0003537
 H   -5.4811260    1.6151621    2.0520465  0.00    0.0011145    0.0001347   -0.0041897
 H   -4.8493622    3.2617718    1.9538845  0.00    0.0033213   -0.0054352   -0.0003808
 C   -6.9316860    3.0752933    1.3819955  0.00   -0.0004413   -0.0016911   -0.0024801
 H   -6.9476415    3.9912075    0.7651073  0.00    0.0000038   -0.0010206   -0.0012530
 H   -7.5704739    2.3490078    0.8527241  0.00    0.0031719   -0.0028334   -0.0018582
 C   -7.5241214    3.3723118    2.7510997  0.00    0.0020166    0.0050800   -0.0056744
 H   -8.5563847    3.7428049    2.6660674  0.00   -0.0038603   -0.0032578    0.0025806
 H   -7.5487649    2.4705835    3.3833192  0.00   -0.0009862   -0.0041721   -0.0013585
 H   -6.9417168    4.1359243    3.2910283  0.00    0.0112218    0.0010700   -0.0013595
 O   -5.6658341   -1.1534484   -0.9430066  0.00   -0.0038938   -0.0006059    0.0004828
 H   -4.8318356   -1.7242796   -0.6296992  0.00    0.0022309    0.0009201    0.0084396
 C   -6.7921719   -1.6565983   -0.5391079  0.00    0.0035167   -0.0002760   -0.0010308
 O   -6.9852169   -2.6322894    0.1370130  0.00   -0.0029607    0.0028753   -0.0015679
 C   -7.9796192   -0.8334857   -1.0867157  0.00    0.0012186   -0.0000922   -0.0032585
 F   -7.8010018    0.4806015   -0.8965325  0.00   -0.0007707   -0.0029605    0.0014409
 F   -8.1177683   -1.0337889   -2.3966275  0.00   -0.0009640   -0.0010982   -0.0014297
 F   -9.1154760   -1.1757117   -0.4928550  0.00   -0.0017951   -0.0035900    0.0033632
 O   -2.8639197   -0.7644849    0.9882382  0.00   -0.0011447    0.0058921    0.0056540
 C   -2.8484392   -1.8977718    0.4905692  0.00    0.0019977   -0.0182320   -0.0027245
 O   -3.6631049   -2.4584356   -0.2680380  0.00   -0.0008031   -0.0051950    0.0028970
 C   -1.6070698   -2.7387431    0.8773705  0.00    0.0023234   -0.0083584    0.0047943
 F   -1.5530078   -2.9317697    2.1978781  0.00   -0.0009016    0.0000311    0.0005052
 F   -1.5862567   -3.9372958    0.2952400  0.00   -0.0015738   -0.0015469    0.0031006
 F   -0.4815540   -2.1023883    0.5204592  0.00    0.0023121    0.0053494   -0.0011004
78
 Energy =   -2041.3858123123
 C    8.2308061   -1.5035130   -0.2975450  0.00   -0.0017287   -0.0013015   -0.0052392
 C    9.2734161   -2.4480152    0.2074862  0.00   -0.0019156   -0.0073140    0.0041518
 C   10.3476662   -1.8095357    1.0653376  0.00   -0.0013534    0.0018414    0.0036888
 C   10.8028858   -0.5212844    0.4082326  0.00   -0.0054608    0.0002917   -0.0066605
 C    9.6761429    0.5185274    0.2879728  0.00   -0.0060286   -0.0062320   -0.0005136
 C   10.1437477    1.6010487   -0.6990898  0.00   -0.0001741   -0.0073908    0.0052590
 H    9.4828586    2.4785066   -0.7142478  0.00    0.0066015    0.0060845   -0.0002654
 H   10.2109926    1.2068303   -1.7248984  0.00    0.0003982    0.0012149   -0.0003195
 H   11.1451892    1.9528798   -0.4069632  0.00    0.0024373   -0.0031273    0.0016690
 C    9.4137497    1.1810090    1.6545732  0.00    0.0046750   -0.0036292   -0.0062632
 H    8.6025255    1.9213881    1.5872438  0.00    0.0079482   -0.0008425   -0.0012025
 H   10.3207706    1.6996122    2.0041467  0.00   -0.0024326   -0.0016025   -0.0015005
 H    9.1262216    0.4450581    2.4194919  0.00    0.0015563   -0.0042470    0.0011057
 H   11.1864635   -0.7557432   -0.6013459  0.00   -0.0038141    0.0001478   -0.0009077
 H   11.6443337   -0.0685816    0.9559449  0.00    0.0002354    0.0078653    0.0098664
 H    9.9562568   -1.6078307    2.0762978  0.00   -0.0008115    0.0026823    0.0007653
 H   11.1907061   -2.5056302    1.1933937  0.00    0.0021534    0.0027024    0.0024205
 H    8.7663388   -3.2757766    0.7387892  0.00    0.0042414    0.0016336   -0.0014654
 H    9.7298062   -2.9423669   -0.6752346  0.00   -0.0002159   -0.0020698   -0.0010869
 C    7.0747363   -2.1751182   -0.9628859  0.00    0.0036110    0.0058502    0.0033457
 H    6.5378949   -1.5179090   -1.6582334  0.00    0.0007919   -0.0065962   -0.0067462
 H    6.3499290   -2.5485063   -0.2140275  0.00   -0.0001153   -0.0028861   -0.0078086
 H    7.4253031   -3.0677875   -1.5080379  0.00    0.0003560    0.0081689    0.0007215
 C    8.3667125   -0.1256364   -0.1935786  0.00   -0.0022188   -0.0052877    0.0000414
 C    7.3044060    0.7993437   -0.5237842  0.00    0.0036163    0.0018604    0.0051663
 H    7.6199339    1.7865431   -0.8685079  0.00    0.0047166    0.0045981   -0.0018363
 C    5.9568650    0.6155158   -0.3464414  0.00    0.0033629    0.0040683    0.0036992
 H    5.6008946   -0.3138102    0.1076548  0.00   -0.0033110   -0.0007907    0.0022807
 C    4.9382984    1.5862858   -0.6685742  0.00    0.0017452    0.0005516   -0.0114299
 C    5.3497283    2.8828882   -1.2924394  0.00   -0.0090907   -0.0020409    0.0010736
 H    4.4923942    3.4991043   -1.5870138  0.00   -0.0037015    0.0007892   -0.0005210
 H    5.9570638    2.7101479   -2.1951575  0.00    0.0039603   -0.0001854   -0.0062927
 H    5.9674074    3.4769249   -0.5976805  0.00    0.0039817    0.0055124   -0.0018417
 C    3.6311007    1.2526202   -0.3896825  0.00   -0.0062645    0.0071285    0.0011177
 H    3.4571477    0.2706875    0.0674150  0.00   -0.0007486   -0.0019912    0.0028909
 C    2.4600840    2.0462606   -0.6240376  0.00   -0.0028536   -0.0014150    0.0003942
 H    2.5873370    3.0287895   -1.0843702  0.00   -0.0012237   -0.0021215    0.0044868
 C    1.1984073    1.6197927   -0.2966359  0.00   -0.0089853    0.0043358   -0.0038765
 H    1.0844932    0.6235683    0.1475750  0.00    0.0013568   -0.0005238    0.0005436
 C   -0.0170216    2.3691963   -0.4897171  0.00   -0.0008649    0.0034167   -0.0002304
 C    0.0809395    3.7366414   -1.0875025  0.00   -0.0055845   -0.0047843    0.0010817
 H   -0.8923091    4.2276201   -1.2041718  0.00   -0.0053841    0.0006654   -0.0011695
 H    0.5547861    3.6954465   -2.0825182  0.00   -0.0040397    0.0006086   -0.0017362
 H    0.7150250    4.3918031   -0.4664726  0.00   -0.0013712    0.0015295   -0.0012847
 C   -1.2110553    1.7699523   -0.1116189  0.00    0.0035302   -0.0047134    0.0004455
 H   -1.1723521    0.7592711    0.3081394  0.00    0.0006464   -0.0016926    0.0003265
 C   -2.5015220    2.3301194   -0.2197671  0.00    0.0058831    0.0058835   -0.0037979
 H   -2.6444253    3.3452636   -0.6072918  0.00    0.0013675   -0.0049109   -0.0013705
 N   -3.5976022    1.6814713    0.1223576  0.00   -0.0027679    0.0015796    0.0014312
 H   -3.4804507    0.6997672    0.4710958  0.00    0.0005330   -0.0043022   -0.0004895
 C   -4.9315412    2.2266481    0.0592012  0.00    0.0017108   -0.0012302    0.0009909
 H   -4.9120354    3.1396194   -0.5578857  0.00   -0.0021768    0.0001079   -0.0004629
 H   -5.5741573    1.4946363   -0.4566640  0.00    0.0003919   -0.0009481    0.0055765
 C   -5.5077611    2.5338454    1.4418935  0.00    0.0011439    0.0059201    0.0034945
 H   -5.4824935    1.6135844    2.0514302  0.00    0.0020518   -0.0010862   -0.0051548
 H   -4.8491006    3.2594867    1.9525490  0.00    0.0001025   -0.0078301   -0.0027093
 C   -6.9319541    3.0742307    1.3811385  0.00    0.0025272   -0.0002054   -0.0040412
 H   -6.9476390    3.9904420    0.7647293  0.00    0.0001058   -0.0019610   -0.0031958
 H   -7.5715117    2.3482895    0.8526372  0.00    0.0022990   -0.0036016   -0.0041622
 C   -7.5231392    3.3716910    2.7503667  0.00    0.0101607    0.0035120    0.0004664
 H   -8.5552175    3.7417045    2.6663448  0.00   -0.0097511   -0.0001838    0.0021079
 H   -7.5470338    2.4696694    3.3824194  0.00   -0.0006368   -0.0011775   -0.0005552
 H   -6.9396845    4.1357523    3.2891768  0.00    0.0073050   -0.0032569   -0.0020824
 O   -5.6628063   -1.1553465   -0.9412013  0.00   -0.0066270    0.0014792    0.0005247
 H   -4.8287270   -1.7266722   -0.6268132  0.00   -0.0024855   -0.0006645    0.0063203
 C   -6.7901543   -1.6575254   -0.5386357  0.00    0.0086759    0.0168261   -0.0096640
 O   -6.9847507   -2.6329503    0.1366843  0.00   -0.0063444   -0.0128280    0.0084294
 C   -7.9768478   -0.8327002   -1.0862420  0.00    0.0048383   -0.0097185   -0.0035478
 F   -7.7971251    0.4809209   -0.8960158  0.00   -0.0015692    0.0015316    0.0034812
 F   -8.1153724   -1.0328159   -2.3959714  0.00    0.0004381   -0.0008737   -0.0077588
 F   -9.1130143   -1.1747276   -0.4929530  0.00   -0.0036637   -0.0010437    0.0071087
 O   -2.8618602   -0.7660263    0.9868414  0.00    0.0001385   -0.0092100   -0.0019762
 C   -2.8475094   -1.9008417    0.4916449  0.00   -0.0023794   -0.0045116    0.0031074
 O   -3.6632472   -2.4624879   -0.2652608  0.00    0.0006747   -0.0031587    0.0038403
 C   -1.6076364   -2.7427065    0.8798966  0.00    0.0046810    0.0027149    0.0079761
 F   -1.5545685   -2.9336361    2.2007303  0.00    0.0003291   -0.0009262    0.0013873
 F   -1.5881769   -3.9416661    0.2996241  0.00   -0.0001811   -0.0081471    0.0001692
 F   -0.4813550   -2.1076315    0.5225454  0.00    0.0015924    0.0018917   -0.0003753
78
 Energy =   -2041.3858397758
 C    8.2298746   -1.5032576   -0.2980204  0.00    0.0069458   -0.0074791    0.0009382
 C    9.2716864   -2.4484464    0.2097039  0.00   -0.0056845    0.0026185    0.0030772
 C   10.3462519   -1.8090854    1.0670212  0.00   -0.0077525    0.0011818    0.0003726
 C   10.8021461   -0.5222384    0.4074008  0.00   -0.0068960   -0.0027973    0.0056711
 C    9.6757062    0.5179759    0.2879712  0.00   -0.0021921   -0.0057049   -0.0012153
 C   10.1439408    1.6012153   -0.6975436  0.00   -0.0084740    0.0029073   -0.0006994
 H    9.4825211    2.4790094   -0.7127870  0.00    0.0125937   -0.0012739    0.0011166
 H   10.2125140    1.2090132   -1.7239740  0.00    0.0000707   -0.0013973   -0.0008849
 H   11.1447394    1.9529680   -0.4041106  0.00    0.0059670   -0.0015898    0.0030257
 C    9.4135078    1.1804922    1.6544531  0.00   -0.0077297   -0.0063728   -0.0019405
 H    8.6013637    1.9204624    1.5868105  0.00    0.0121341   -0.0068660    0.0006434
 H   10.3192520    1.7001062    2.0039917  0.00    0.0069456    0.0030941   -0.0013507
 H    9.1279347    0.4445803    2.4205122  0.00   -0.0009404   -0.0013698   -0.0031736
 H   11.1836984   -0.7596134   -0.6020480  0.00   -0.0001717    0.0048176   -0.0027310
 H   11.6437668   -0.0697155    0.9554463  0.00   -0.0000544    0.0068215    0.0030663
 H    9.9543176   -1.6043333    2.0771209  0.00   -0.0004920    0.0005611    0.0015623
 H   11.1883759   -2.5058604    1.1969628  0.00    0.0032674    0.0032837    0.0024752
 H    8.7632416   -3.2742451    0.7423182  0.00    0.0021919   -0.0004061    0.0008768
 H    9.7281049   -2.9456290   -0.6712512  0.00    0.0001621   -0.0012380   -0.0032165
 C    7.0749965   -2.1747783   -0.9651710  0.00   -0.0012298    0.0062322    0.0008505
 H    6.5402991   -1.5182868   -1.6630757  0.00    0.0008455   -0.0054863   -0.0032876
 H    6.3475280   -2.5481140   -0.2184364  0.00    0.0042111   -0.0009370   -0.0102769
 H    7.4272617   -3.0671465   -1.5094515  0.00   -0.0000229    0.0047394    0.0009312
 C    8.3663865   -0.1254527   -0.1939887  0.00   -0.0042072   -0.0060502   -0.0010844
 C    7.3046335    0.7998844   -0.5247762  0.00    0.0041858    0.0064049    0.0015380
 H    7.6203950    1.7868524   -0.8704598  0.00    0.0047816    0.0021479   -0.0009695
 C    5.9571126    0.6167492   -0.3475168  0.00    0.0016473    0.0072970    0.0040300
 H    5.6010576   -0.3114751    0.1082058  0.00   -0.0045405   -0.0054510    0.0025309
 C    4.9383686    1.5872541   -0.6702153  0.00   -0.0022594    0.0007004   -0.0080581
 C    5.3484477    2.8840775   -1.2944140  0.00    0.0051945   -0.0083295   -0.0066351
 H    4.4907576    3.4973098   -1.5937007  0.00   -0.0043108    0.0024559   -0.0002889
 H    5.9606336    2.7109375   -2.1945372  0.00   -0.0030452    0.0025905    0.0007356
 H    5.9627580    3.4801939   -0.5981917  0.00    0.0009564    0.0058825   -0.0030932
 C    3.6313597    1.2539042   -0.3896498  0.00   -0.0067156   -0.0036492    0.0051071
 H    3.4571579    0.2721860    0.0688867  0.00    0.0026134    0.0037178   -0.0006722
 C    2.4600058    2.0467043   -0.6238153  0.00   -0.0021802    0.0019675   -0.0001030
 H    2.5868825    3.0289023   -1.0842882  0.00   -0.0012987    0.0025236    0.0013898
 C    1.1984986    1.6203744   -0.2961066  0.00   -0.0095248   -0.0020906    0.0013424
 H    1.0852279    0.6247039    0.1498341  0.00    0.0008829    0.0004743   -0.0016463
 C   -0.0172214    2.3687470   -0.4897488  0.00   -0.0026590    0.0019516   -0.0000735
 C    0.0790549    3.7357202   -1.0877508  0.00   -0.0093564    0.0064618   -0.0022194
 H   -0.8950937    4.2250424   -1.2041980  0.00   -0.0054187    0.0004848   -0.0009338
 H    0.5514019    3.6957939   -2.0833572  0.00   -0.0006055   -0.0014070   -0.0031929
 H    0.7115642    4.3935680   -0.4678811  0.00    0.0003927   -0.0021513   -0.0004785
 C   -1.2113928    1.7690466   -0.1126979  0.00    0.0047796   -0.0030823    0.0010673
 H   -1.1725810    0.7587683    0.3079371  0.00   -0.0002761   -0.0027368    0.0000674
 C   -2.5017968    2.3291970   -0.2221937  0.00    0.0033320    0.0001723    0.0010289
 H   -2.6445553    3.3437554   -0.6104969  0.00   -0.0001447   -0.0009033   -0.0026038
 N   -3.5976642    1.6804446    0.1208555  0.00    0.0001896   -0.0049208   -0.0004507
 H   -3.4789359    0.6986679    0.4685841  0.00   -0.0021395   -0.0035727    0.0018247
 C   -4.9325985    2.2232634    0.0578140  0.00    0.0026436    0.0031046    0.0013988
 H   -4.9150100    3.1352496   -0.5609309  0.00   -0.0020898   -0.0001695    0.0008759
 H   -5.5746658    1.4895965   -0.4561358  0.00    0.0013999   -0.0020771    0.0041413
 C   -5.5085846    2.5317448    1.4405318  0.00    0.0035988   -0.0012599   -0.0009890
 H   -5.4838229    1.6116762    2.0504851  0.00    0.0013551   -0.0011254   -0.0061391
 H   -4.8487138    3.2560232    1.9508657  0.00    0.0009575   -0.0019630   -0.0009631
 C   -6.9323681    3.0729446    1.3799203  0.00    0.0039558    0.0005856   -0.0052810
 H   -6.9478419    3.9894939    0.7641264  0.00    0.0002429   -0.0028393   -0.0062431
 H   -7.5728979    2.3470554    0.8523394  0.00    0.0037834   -0.0013798   -0.0043079
 C   -7.5213177    3.3710786    2.7494837  0.00   -0.0029215   -0.0026320    0.0048608
 H   -8.5541815    3.7403017    2.6678201  0.00   -0.0046531    0.0008726    0.0000219
 H   -7.5451555    2.4684901    3.3810621  0.00    0.0026718    0.0028285    0.0007362
 H   -6.9371069    4.1353435    3.2867281  0.00    0.0085312   -0.0026852    0.0015139
 O   -5.6596288   -1.1574269   -0.9391227  0.00    0.0007139    0.0023133    0.0016736
 H   -4.8259831   -1.7295072   -0.6230882  0.00   -0.0035931   -0.0031613    0.0032524
 C   -6.7876368   -1.6583945   -0.5382491  0.00   -0.0070622    0.0047618    0.0003686
 O   -6.9854333   -2.6340593    0.1364604  0.00    0.0027444   -0.0025888    0.0008509
 C   -7.9734088   -0.8323501   -1.0859275  0.00   -0.0051183   -0.0102417    0.0042288
 F   -7.7934678    0.4812103   -0.8940820  0.00   -0.0003423   -0.0017875   -0.0012744
 F   -8.1124242   -1.0319656   -2.3954900  0.00    0.0026375    0.0025987   -0.0102033
 F   -9.1102748   -1.1740745   -0.4928573  0.00    0.0025590    0.0003254    0.0045702
 O   -2.8596373   -0.7688166    0.9854717  0.00    0.0006725   -0.0137537   -0.0060993
 C   -2.8464127   -1.9050435    0.4931646  0.00   -0.0054262   -0.0014205    0.0058834
 O   -3.6632946   -2.4680072   -0.2617407  0.00    0.0004570    0.0010418    0.0045397
 C   -1.6077651   -2.7476120    0.8834135  0.00    0.0005493    0.0051351    0.0026726
 F   -1.5560127   -2.9360996    2.2044632  0.00    0.0038355   -0.0015024    0.0029706
 F   -1.5900459   -3.9479555    0.3052994  0.00    0.0039632   -0.0016025    0.0023600
 F   -0.4810343   -2.1136410    0.5250780  0.00    0.0004565   -0.0053121    0.0018018
78
 Energy =   -2041.3858593157
 C    8.2294149   -1.5033068   -0.2982075  0.00    0.0021375   -0.0029014    0.0012178
 C    9.2698891   -2.4486398    0.2115056  0.00    0.0005488    0.0028534   -0.0001485
 C   10.3444264   -1.8087649    1.0683349  0.00   -0.0023392   -0.0013509    0.0005257
 C   10.8010139   -0.5231819    0.4070062  0.00   -0.0001904   -0.0025203    0.0079819
 C    9.6752629    0.5172987    0.2878931  0.00   -0.0056420   -0.0012024   -0.0019852
 C   10.1435851    1.6014931   -0.6964313  0.00   -0.0026563    0.0036996   -0.0004065
 H    9.4823192    2.4794619   -0.7110414  0.00    0.0128841   -0.0023454    0.0010535
 H   10.2133109    1.2105153   -1.7232270  0.00   -0.0006342   -0.0016601   -0.0013128
 H   11.1443186    1.9527882   -0.4015566  0.00    0.0034516   -0.0017854    0.0013995
 C    9.4129845    1.1797546    1.6542526  0.00   -0.0035124   -0.0033262    0.0027695
 H    8.6004839    1.9193299    1.5868013  0.00    0.0112601   -0.0077852    0.0005514
 H   10.3184365    1.7005266    2.0033374  0.00    0.0057544    0.0018038   -0.0027407
 H    9.1289709    0.4442129    2.4211906  0.00   -0.0027522   -0.0020854   -0.0038028
 H   11.1814799   -0.7625082   -0.6025980  0.00    0.0004502    0.0082164    0.0003529
 H   11.6429731   -0.0705262    0.9550681  0.00   -0.0022377    0.0042726   -0.0020723
 H    9.9523630   -1.6014579    2.0776616  0.00   -0.0022561   -0.0008521    0.0042593
 H   11.1865171   -2.5056626    1.2003901  0.00   -0.0011467    0.0056288    0.0007410
 H    8.7609321   -3.2729919    0.7451905  0.00   -0.0017397   -0.0038392    0.0031827
 H    9.7264348   -2.9481333   -0.6683335  0.00   -0.0009200    0.0010497   -0.0012057
 C    7.0753522   -2.1744207   -0.9669035  0.00    0.0008127    0.0031848   -0.0023037
 H    6.5424847   -1.5185916   -1.6665875  0.00   -0.0011559   -0.0019656   -0.0031505
 H    6.3462538   -2.5478782   -0.2220438  0.00    0.0032078   -0.0007900   -0.0082196
 H    7.4287755   -3.0666846   -1.5104801  0.00   -0.0002007    0.0028694    0.0008106
 C    8.3659063   -0.1253719   -0.1943323  0.00   -0.0024985   -0.0075195   -0.0011768
 C    7.3048636    0.8007519   -0.5255206  0.00    0.0025377    0.0021020   -0.0000058
 H    7.6214036    1.7871415   -0.8721558  0.00    0.0037892    0.0021809   -0.0006628
 C    5.9573104    0.6179407   -0.3482429  0.00    0.0006978    0.0077014    0.0045826
 H    5.6009331   -0.3096138    0.1086419  0.00   -0.0030749   -0.0065275    0.0016396
 C    4.9382866    1.5879758   -0.6715333  0.00   -0.0049734   -0.0014247   -0.0051258
 C    5.3474918    2.8844983   -1.2960489  0.00    0.0061070    0.0023991   -0.0084514
 H    4.4892667    3.4960314   -1.5987320  0.00    0.0008099   -0.0011269    0.0018639
 H    5.9628762    2.7121415   -2.1941097  0.00   -0.0036924    0.0012514    0.0000817
 H    5.9590565    3.4828046   -0.5987862  0.00   -0.0023286    0.0035384   -0.0051952
 C    3.6314247    1.2548005   -0.3896338  0.00   -0.0029848   -0.0049520    0.0055105
 H    3.4578543    0.2735532    0.0700542  0.00    0.0020389    0.0028739   -0.0008999
 C    2.4599348    2.0471621   -0.6235850  0.00   -0.0038625    0.0038073   -0.0001353
 H    2.5864827    3.0292373   -1.0841879  0.00   -0.0012743    0.0040751   -0.0000525
 C    1.1985460    1.6207643   -0.2955150  0.00   -0.0075577   -0.0033355    0.0025587
 H    1.0862552    0.6254251    0.1514311  0.00   -0.0009519    0.0003112   -0.0024162
 C   -0.0174206    2.3683459   -0.4897312  0.00   -0.0040999    0.0023069    0.0002669
 C    0.0771845    3.7351996   -1.0879682  0.00   -0.0054465    0.0061466   -0.0140559
 H   -0.8977195    4.2229664   -1.2041972  0.00   -0.0055997    0.0011672   -0.0010377
 H    0.5486413    3.6951028   -2.0846342  0.00   -0.0030687    0.0000120    0.0056507
 H    0.7087950    4.3945373   -0.4689803  0.00    0.0026281   -0.0023341    0.0000796
 C   -1.2116346    1.7683328   -0.1136180  0.00    0.0021559   -0.0034528    0.0030286
 H   -1.1731337    0.7582446    0.3077855  0.00   -0.0003501   -0.0014208   -0.0011473
 C   -2.5020306    2.3286233   -0.2241438  0.00    0.0029491   -0.0069560    0.0045409
 H   -2.6449540    3.3426394   -0.6132577  0.00   -0.0009282    0.0016548   -0.0030504
 N   -3.5976243    1.6795600    0.1195558  0.00    0.0024036   -0.0102321   -0.0002296
 H   -3.4780759    0.6977211    0.4669251  0.00   -0.0025496   -0.0008073    0.0018999
 C   -4.9332100    2.2206006    0.0568055  0.00    0.0011064    0.0053524   -0.0012105
 H   -4.9176204    3.1317828   -0.5633141  0.00   -0.0009856   -0.0007025    0.0018894
 H   -5.5747475    1.4854412   -0.4556025  0.00    0.0020595   -0.0020452    0.0035526
 C   -5.5089714    2.5300103    1.4393693  0.00    0.0045911   -0.0047114   -0.0020767
 H   -5.4844642    1.6100907    2.0496256  0.00    0.0003497   -0.0010552   -0.0065682
 H   -4.8483952    3.2534573    1.9496338  0.00    0.0013261    0.0013509   -0.0005268
 C   -6.9324648    3.0719075    1.3787713  0.00    0.0019232   -0.0001136   -0.0030980
 H   -6.9478120    3.9886531    0.7632692  0.00    0.0004886   -0.0036700   -0.0071823
 H   -7.5739073    2.3461268    0.8517417  0.00    0.0062887    0.0010837   -0.0031548
 C   -7.5199222    3.3703931    2.7490143  0.00   -0.0054688   -0.0039003    0.0014808
 H   -8.5531722    3.7393579    2.6688739  0.00   -0.0020234   -0.0003916    0.0000968
 H   -7.5420881    2.4676796    3.3804341  0.00    0.0015580    0.0035203    0.0021332
 H   -6.9349662    4.1348875    3.2848196  0.00    0.0091874   -0.0013962    0.0035482
 O   -5.6571856   -1.1586529   -0.9374159  0.00    0.0028886    0.0009243    0.0031443
 H   -4.8244249   -1.7318810   -0.6200846  0.00   -0.0030661   -0.0035339    0.0003762
 C   -6.7857852   -1.6589954   -0.5379909  0.00   -0.0127877   -0.0070396    0.0104561
 O   -6.9852958   -2.6349819    0.1363538  0.00    0.0076125    0.0068870   -0.0064024
 C   -7.9708803   -0.8324195   -1.0854624  0.00   -0.0073660   -0.0036666   -0.0004373
 F   -7.7907598    0.4811515   -0.8928917  0.00    0.0013879   -0.0025463   -0.0016164
 F   -8.1095103   -1.0309439   -2.3954340  0.00    0.0017595    0.0016264   -0.0058655
 F   -9.1079576   -1.1735200   -0.4926414  0.00    0.0021186   -0.0021073    0.0026755
 O   -2.8578346   -0.7714664    0.9840980  0.00   -0.0002586   -0.0005672   -0.0014949
 C   -2.8458250   -1.9084287    0.4944556  0.00    0.0005054   -0.0105461    0.0063113
 O   -3.6632929   -2.4723058   -0.2589091  0.00   -0.0056398   -0.0010620    0.0006354
 C   -1.6077948   -2.7512992    0.8863005  0.00    0.0058492    0.0002504    0.0001461
 F   -1.5559667   -2.9381193    2.2075621  0.00    0.0020726   -0.0004110    0.0030716
 F   -1.5901417   -3.9527817    0.3099074  0.00    0.0013085    0.0024632    0.0036461
 F   -0.4806095   -2.1185837    0.5271011  0.00   -0.0002433   -0.0044010    0.0020259
78
 Energy =   -2041.3858865685
 C    8.2289981   -1.5035215   -0.2983658  0.00   -0.0052930    0.0056759    0.0001621
 C    9.2681481   -2.4486981    0.2132897  0.00    0.0026994   -0.0028256    0.0006741
 C   10.3424254   -1.8084895    1.0698175  0.00   -0.0021402    0.0031525    0.0040243
 C   10.7997657   -0.5242022    0.4069967  0.00    0.0035378   -0.0002590    0.0018305
 C    9.6745102    0.5165251    0.2876979  0.00   -0.0063909    0.0024050    0.0008423
 C   10.1431023    1.6018720   -0.6952763  0.00    0.0034542   -0.0064339   -0.0027903
 H    9.4822865    2.4797903   -0.7085234  0.00    0.0106064    0.0019023    0.0001182
 H   10.2130712    1.2116447   -1.7226209  0.00   -0.0006254    0.0013705    0.0021244
 H   11.1439918    1.9516443   -0.3989224  0.00    0.0024518   -0.0003484   -0.0010817
 C    9.4123801    1.1788370    1.6541705  0.00    0.0063985    0.0020220    0.0005598
 H    8.5997578    1.9178452    1.5869565  0.00    0.0069297   -0.0049127    0.0001291
 H   10.3180706    1.7010593    2.0015103  0.00    0.0012650   -0.0018302   -0.0018882
 H    9.1296187    0.4437963    2.4215303  0.00   -0.0035430   -0.0056420    0.0002237
 H   11.1794779   -0.7650059   -0.6029982  0.00   -0.0004612    0.0106022    0.0065701
 H   11.6419578   -0.0712617    0.9546351  0.00   -0.0022561    0.0031049   -0.0039573
 H    9.9496596   -1.5986325    2.0784442  0.00   -0.0018378   -0.0029425    0.0031366
 H   11.1845411   -2.5046540    1.2041534  0.00   -0.0010448    0.0017696   -0.0000474
 H    8.7584537   -3.2717837    0.7483024  0.00   -0.0027036   -0.0037511    0.0019498
 H    9.7245150   -2.9501119   -0.6655948  0.00   -0.0003585    0.0012580   -0.0002471
 C    7.0757729   -2.1739684   -0.9687295  0.00    0.0036567   -0.0005366   -0.0062280
 H    6.5443696   -1.5189967   -1.6701197  0.00   -0.0021664    0.0018626   -0.0025723
 H    6.3454413   -2.5476962   -0.2257518  0.00   -0.0004405   -0.0014562   -0.0038583
 H    7.4301754   -3.0662181   -1.5113983  0.00    0.0003065    0.0003025   -0.0005757
 C    8.3652437   -0.1254490   -0.1947065  0.00    0.0002050   -0.0061216   -0.0009228
 C    7.3051306    0.8019161   -0.5262138  0.00    0.0001064   -0.0062019   -0.0005070
 H    7.6230668    1.7875294   -0.8738779  0.00    0.0011737    0.0021846   -0.0002448
 C    5.9575093    0.6193897   -0.3487006  0.00   -0.0007026    0.0047655    0.0041661
 H    5.6006280   -0.3078324    0.1090988  0.00    0.0006333   -0.0043952   -0.0003304
 C    4.9379892    1.5885770   -0.6729529  0.00   -0.0020819    0.0017182   -0.0022679
 C    5.3467245    2.8850665   -1.2977968  0.00   -0.0015165    0.0057239   -0.0059427
 H    4.4877275    3.4943622   -1.6033755  0.00    0.0033322   -0.0013343    0.0024900
 H    5.9645196    2.7136095   -2.1937754  0.00   -0.0000651   -0.0016779   -0.0063926
 H    5.9553822    3.4855623   -0.5999325  0.00   -0.0025756    0.0032434   -0.0032873
 C    3.6314161    1.2555050   -0.3895654  0.00   -0.0010322    0.0030335    0.0018682
 H    3.4590891    0.2749790    0.0712179  0.00   -0.0011712   -0.0026187    0.0011384
 C    2.4596883    2.0478161   -0.6233180  0.00   -0.0038347    0.0011895    0.0012137
 H    2.5858906    3.0298794   -1.0840905  0.00   -0.0011533    0.0036302   -0.0004347
 C    1.1984542    1.6210673   -0.2948378  0.00   -0.0046450   -0.0000155    0.0012483
 H    1.0871862    0.6259878    0.1528522  0.00   -0.0028606   -0.0000145   -0.0027336
 C   -0.0177658    2.3680073   -0.4896917  0.00   -0.0049078    0.0026188   -0.0018019
 C    0.0750586    3.7349102   -1.0887858  0.00   -0.0062238    0.0032217   -0.0035317
 H   -0.9007288    4.2212146   -1.2043677  0.00   -0.0033053    0.0011914   -0.0013738
 H    0.5456145    3.6944878   -2.0853177  0.00    0.0006676    0.0008856   -0.0011636
 H    0.7062063    4.3951424   -0.4700692  0.00    0.0017686   -0.0030461   -0.0020878
 C   -1.2118269    1.7674035   -0.1144484  0.00   -0.0008187   -0.0004070    0.0041452
 H   -1.1738346    0.7575369    0.3075875  0.00    0.0004171   -0.0010542   -0.0016019
 C   -2.5021639    2.3278849   -0.2258860  0.00    0.0035712   -0.0063279    0.0034145
 H   -2.6454694    3.3416401   -0.6163313  0.00   -0.0001868   -0.0031369   -0.0000885
 N   -3.5973514    1.6785672    0.1183273  0.00   -0.0022026   -0.0141082    0.0002206
 H   -3.4776296    0.6967102    0.4654923  0.00   -0.0010987    0.0012089    0.0016967
 C   -4.9336476    2.2180387    0.0557350  0.00    0.0027750    0.0036485   -0.0013896
 H   -4.9202537    3.1282732   -0.5656490  0.00    0.0006969    0.0007575    0.0012863
 H   -5.5743959    1.4811498   -0.4548610  0.00    0.0012095   -0.0025032    0.0017201
 C   -5.5088987    2.5280749    1.4381312  0.00    0.0000949   -0.0021580   -0.0016997
 H   -5.4848507    1.6084258    2.0486725  0.00   -0.0002007   -0.0023634   -0.0063016
 H   -4.8478992    3.2509905    1.9484739  0.00    0.0014033    0.0030555   -0.0009261
 C   -6.9323979    3.0708825    1.3774884  0.00    0.0032182   -0.0017317   -0.0000054
 H   -6.9473712    3.9876881    0.7619208  0.00    0.0004774   -0.0048918   -0.0061427
 H   -7.5745043    2.3452931    0.8507278  0.00    0.0078628    0.0025339   -0.0018764
 C   -7.5186396    3.3696053    2.7484802  0.00   -0.0025516   -0.0035453    0.0007434
 H   -8.5522589    3.7383304    2.6698946  0.00    0.0005698   -0.0020979    0.0004562
 H   -7.5384946    2.4669932    3.3803672  0.00   -0.0008478    0.0053128    0.0004387
 H   -6.9326998    4.1343527    3.2831216  0.00    0.0071044   -0.0019383    0.0026043
 O   -5.6547256   -1.1597697   -0.9354023  0.00   -0.0030412    0.0026247    0.0018781
 H   -4.8233214   -1.7344545   -0.6170696  0.00   -0.0011243   -0.0039071   -0.0012893
 C   -6.7842457   -1.6596738   -0.5376501  0.00   -0.0045775   -0.0052313    0.0098667
 O   -6.9841168   -2.6357795    0.1361724  0.00    0.0031812    0.0014269   -0.0030833
 C   -7.9687698   -0.8326857   -1.0851691  0.00    0.0002737    0.0035636   -0.0051942
 F   -7.7878699    0.4808415   -0.8920540  0.00    0.0004661   -0.0029224   -0.0001215
 F   -8.1064279   -1.0296994   -2.3956738  0.00   -0.0021541   -0.0016288   -0.0001224
 F   -9.1056459   -1.1733202   -0.4923038  0.00   -0.0017018   -0.0037899   -0.0008261
 O   -2.8561518   -0.7739840    0.9824704  0.00   -0.0004092    0.0081838    0.0031879
 C   -2.8453361   -1.9119501    0.4958335  0.00    0.0013331   -0.0186959    0.0027652
 O   -3.6637480   -2.4767037   -0.2560181  0.00   -0.0021230   -0.0019766    0.0033651
 C   -1.6073909   -2.7547972    0.8892891  0.00    0.0015434   -0.0096249    0.0002013
 F   -1.5551657   -2.9401384    2.2108513  0.00   -0.0012015    0.0016612    0.0026031
 F   -1.5897272   -3.9574178    0.3147139  0.00   -0.0027427    0.0036384    0.0035874
 F   -0.4802623   -2.1238105    0.5292081  0.00    0.0075697    0.0039651   -0.0006358
78
 Energy =   -2041.3858991297
 C    8.2283489   -1.5034822   -0.2986445  0.00   -0.0029905    0.0014848    0.0013501
 C    9.2668696   -2.4488931    0.2147496  0.00   -0.0014533   -0.0034173    0.0043013
 C   10.3409668   -1.8079510    1.0712641  0.00   -0.0028941   -0.0005886    0.0036883
 C   10.7991643   -0.5249063    0.4071509  0.00   -0.0034536    0.0032339   -0.0017546
 C    9.6737620    0.5160172    0.2876338  0.00    0.0014350    0.0008672    0.0022363
 C   10.1430718    1.6018080   -0.6943648  0.00   -0.0002616   -0.0039770   -0.0015575
 H    9.4824086    2.4800545   -0.7065411  0.00    0.0133155    0.0004848   -0.0002344
 H   10.2127204    1.2128057   -1.7220536  0.00    0.0002791    0.0004962    0.0002652
 H   11.1440173    1.9504617   -0.3970466  0.00    0.0028201    0.0006625   -0.0023550
 C    9.4122836    1.1782626    1.6541326  0.00    0.0045376    0.0018416   -0.0014153
 H    8.5993095    1.9166323    1.5869886  0.00    0.0048426   -0.0026432    0.0002263
 H   10.3179739    1.7015711    1.9996625  0.00    0.0012961   -0.0030001    0.0010854
 H    9.1298941    0.4433739    2.4217282  0.00   -0.0015323   -0.0052252    0.0013255
 H   11.1780212   -0.7665454   -0.6031092  0.00   -0.0001623    0.0104808    0.0090711
 H   11.6414556   -0.0718426    0.9542066  0.00   -0.0001922    0.0040839   -0.0032816
 H    9.9473597   -1.5969850    2.0794265  0.00   -0.0004963   -0.0024847    0.0017003
 H   11.1831602   -2.5036870    1.2070524  0.00   -0.0020708   -0.0006078   -0.0000775
 H    8.7561960   -3.2710974    0.7509781  0.00   -0.0002694    0.0003506   -0.0014537
 H    9.7232066   -2.9515603   -0.6633046  0.00    0.0006090    0.0003033   -0.0008112
 C    7.0760173   -2.1735318   -0.9705035  0.00   -0.0009117   -0.0021442   -0.0074864
 H    6.5452667   -1.5193999   -1.6733915  0.00   -0.0002155    0.0029631    0.0004094
 H    6.3445532   -2.5475793   -0.2287739  0.00   -0.0004266   -0.0007257   -0.0033954
 H    7.4312099   -3.0657868   -1.5122448  0.00    0.0014338   -0.0028671   -0.0025028
 C    8.3647850   -0.1256767   -0.1951434  0.00    0.0013372    0.0006403    0.0011421
 C    7.3053984    0.8023878   -0.5267788  0.00   -0.0003147    0.0018949   -0.0042733
 H    7.6246235    1.7879469   -0.8751712  0.00   -0.0034846   -0.0062410    0.0028040
 C    5.9576890    0.6207000   -0.3488388  0.00   -0.0032684   -0.0016122    0.0026388
 H    5.6005257   -0.3065438    0.1094914  0.00    0.0032695   -0.0001370   -0.0023285
 C    4.9377409    1.5891507   -0.6742076  0.00    0.0011685    0.0054535    0.0026583
 C    5.3461791    2.8858648   -1.2992966  0.00   -0.0042212   -0.0011278   -0.0074236
 H    4.4866810    3.4930749   -1.6069860  0.00    0.0016965    0.0010968    0.0007101
 H    5.9659249    2.7142625   -2.1938085  0.00    0.0000633   -0.0011800   -0.0073584
 H    5.9523734    3.4881793   -0.6011978  0.00   -0.0006648    0.0037568   -0.0002650
 C    3.6313905    1.2562002   -0.3894388  0.00   -0.0019267    0.0045126    0.0001178
 H    3.4597012    0.2758348    0.0721622  0.00   -0.0017353   -0.0007878    0.0001997
 C    2.4592756    2.0483897   -0.6230945  0.00   -0.0020717   -0.0005532    0.0019798
 H    2.5850883    3.0305357   -1.0840808  0.00   -0.0011305    0.0014749    0.0001655
 C    1.1981572    1.6213223   -0.2943703  0.00   -0.0028753    0.0047292   -0.0004415
 H    1.0871233    0.6265181    0.1539351  0.00   -0.0030313   -0.0003804   -0.0030245
 C   -0.0182550    2.3679554   -0.4897907  0.00   -0.0032773    0.0023879   -0.0044088
 C    0.0733120    3.7349901   -1.0896269  0.00   -0.0059007   -0.0020845    0.0034625
 H   -0.9030678    4.2202637   -1.2048817  0.00   -0.0017067    0.0016358   -0.0009257
 H    0.5434656    3.6947390   -2.0860673  0.00    0.0024169    0.0002338   -0.0047500
 H    0.7044144    4.3953400   -0.4709880  0.00    0.0008198   -0.0017847   -0.0027980
 C   -1.2119346    1.7665598   -0.1149149  0.00   -0.0017630    0.0015594    0.0040825
 H   -1.1740155    0.7567783    0.3073600  0.00    0.0008548   -0.0008708   -0.0013598
 C   -2.5021095    2.3269620   -0.2270466  0.00   -0.0031668   -0.0060790    0.0028219
 H   -2.6456672    3.3403936   -0.6186985  0.00    0.0002998   -0.0057134    0.0020606
 N   -3.5973324    1.6775899    0.1173928  0.00    0.0016514   -0.0129113   -0.0015510
 H   -3.4775269    0.6958422    0.4643002  0.00    0.0000018   -0.0006781    0.0028843
 C   -4.9338170    2.2160736    0.0547373  0.00   -0.0020475   -0.0006892   -0.0004959
 H   -4.9221568    3.1256319   -0.5675150  0.00    0.0021183    0.0017408    0.0004479
 H   -5.5741305    1.4775525   -0.4542364  0.00    0.0022312   -0.0002089    0.0006988
 C   -5.5088617    2.5264470    1.4371069  0.00   -0.0002167    0.0026264   -0.0000393
 H   -5.4852757    1.6070041    2.0478407  0.00   -0.0000817   -0.0036616   -0.0061660
 H   -4.8472352    3.2490111    1.9474446  0.00   -0.0005404    0.0024410   -0.0019036
 C   -6.9322826    3.0700192    1.3765190  0.00    0.0051370    0.0014244    0.0033728
 H   -6.9468006    3.9867979    0.7605665  0.00    0.0001309   -0.0068256   -0.0034916
 H   -7.5745142    2.3447227    0.8498287  0.00    0.0059148    0.0009689   -0.0021711
 C   -7.5179193    3.3690482    2.7481354  0.00    0.0034330   -0.0005252   -0.0022952
 H   -8.5518209    3.7372655    2.6708542  0.00    0.0015497   -0.0008505   -0.0005459
 H   -7.5367784    2.4667384    3.3802143  0.00   -0.0008502    0.0026217    0.0013143
 H   -6.9308325    4.1337849    3.2821269  0.00    0.0029938   -0.0041247    0.0003855
 O   -5.6528711   -1.1604855   -0.9335907  0.00   -0.0084890    0.0007611    0.0024215
 H   -4.8226056   -1.7367074   -0.6146936  0.00   -0.0013772   -0.0016989   -0.0025572
 C   -6.7832253   -1.6602950   -0.5372230  0.00    0.0060819    0.0070323   -0.0005503
 O   -6.9831440   -2.6364222    0.1359280  0.00   -0.0029131   -0.0102855    0.0049503
 C   -7.9672823   -0.8327469   -1.0852965  0.00    0.0030136   -0.0008284   -0.0005342
 F   -7.7856683    0.4804492   -0.8914519  0.00   -0.0013498   -0.0008188   -0.0002368
 F   -8.1048290   -1.0289669   -2.3959049  0.00   -0.0031188   -0.0023510    0.0016459
 F   -9.1040344   -1.1736247   -0.4920841  0.00   -0.0016156   -0.0014594   -0.0046675
 O   -2.8548206   -0.7756803    0.9812792  0.00    0.0012606   -0.0039620   -0.0006022
 C   -2.8448236   -1.9150345    0.4969975  0.00    0.0014000   -0.0049144    0.0070529
 O   -3.6642134   -2.4803156   -0.2534580  0.00    0.0015587   -0.0044778    0.0052959
 C   -1.6069827   -2.7580330    0.8917314  0.00    0.0001623    0.0018322    0.0041183
 F   -1.5548241   -2.9414836    2.2137845  0.00   -0.0013824    0.0018481   -0.0018692
 F   -1.5902821   -3.9610023    0.3188684  0.00   -0.0008107   -0.0026850    0.0009090
 F   -0.4793233   -2.1277846    0.5309340  0.00    0.0022386    0.0001341    0.0003913
78
 Energy =   -2041.3859121713
 C    8.2275639   -1.5033297   -0.2988279  0.00    0.0010618   -0.0058534    0.0019422
 C    9.2655432   -2.4491861    0.2162129  0.00   -0.0056643   -0.0007575    0.0044891
 C   10.3394876   -1.8075764    1.0726544  0.00   -0.0041659   -0.0013212   -0.0000679
 C   10.7984159   -0.5254547    0.4072068  0.00   -0.0066285    0.0041604    0.0017987
 C    9.6731821    0.5156309    0.2877177  0.00    0.0064209   -0.0002781    0.0011764
 C   10.1430043    1.6015885   -0.6936153  0.00    0.0001390    0.0025394   -0.0003390
 H    9.4825658    2.4802488   -0.7052339  0.00    0.0152611   -0.0017431   -0.0003513
 H   10.2129509    1.2137654   -1.7215492  0.00    0.0001033   -0.0013467   -0.0020479
 H   11.1440443    1.9498402   -0.3956485  0.00    0.0009118   -0.0000006   -0.0030586
 C    9.4124131    1.1778723    1.6540612  0.00   -0.0038872   -0.0028303    0.0022074
 H    8.5988404    1.9155075    1.5870636  0.00    0.0046670   -0.0007875    0.0002389
 H   10.3178559    1.7017562    1.9986044  0.00    0.0038511   -0.0019936    0.0033789
 H    9.1299748    0.4429497    2.4220352  0.00    0.0016530   -0.0018629   -0.0014781
 H   11.1765638   -0.7676287   -0.6030655  0.00    0.0006542    0.0088525    0.0081063
 H   11.6410425   -0.0723968    0.9537569  0.00   -0.0002266    0.0041158   -0.0035265
 H    9.9452945   -1.5958889    2.0803754  0.00    0.0002116   -0.0009827    0.0021062
 H   11.1815723   -2.5029456    1.2093824  0.00   -0.0005687   -0.0039048    0.0005417
 H    8.7539517   -3.2705385    0.7533124  0.00    0.0012189    0.0027436   -0.0034393
 H    9.7221147   -2.9528451   -0.6611132  0.00    0.0003261   -0.0000951   -0.0006113
 C    7.0761461   -2.1731385   -0.9723924  0.00   -0.0038008   -0.0034348   -0.0058475
 H    6.5461564   -1.5194262   -1.6764273  0.00    0.0011566    0.0032368    0.0025368
 H    6.3435981   -2.5473796   -0.2315680  0.00    0.0010689    0.0001223   -0.0054629
 H    7.4323688   -3.0653798   -1.5133936  0.00    0.0011219   -0.0037229   -0.0029088
 C    8.3644400   -0.1258224   -0.1954904  0.00   -0.0006378    0.0082355    0.0015099
 C    7.3056051    0.8028695   -0.5276747  0.00   -0.0059584   -0.0026918   -0.0007098
 H    7.6252836    1.7881042   -0.8759889  0.00   -0.0028865   -0.0035696    0.0010458
 C    5.9577068    0.6218057   -0.3489395  0.00   -0.0001957   -0.0024485   -0.0014375
 H    5.6006152   -0.3053651    0.1098229  0.00    0.0036262    0.0010435   -0.0027311
 C    4.9375659    1.5898751   -0.6752659  0.00    0.0000491    0.0043487    0.0081768
 C    5.3455578    2.8865080   -1.3007711  0.00   -0.0007006   -0.0034696   -0.0105296
 H    4.4858233    3.4921702   -1.6103598  0.00   -0.0001782    0.0019400   -0.0013904
 H    5.9672673    2.7143986   -2.1941308  0.00   -0.0023654    0.0008778   -0.0039701
 H    5.9493983    3.4907534   -0.6022561  0.00    0.0001815    0.0022095   -0.0002292
 C    3.6313092    1.2570493   -0.3893115  0.00   -0.0024922    0.0014043    0.0008411
 H    3.4597379    0.2766690    0.0730329  0.00   -0.0003299    0.0037381   -0.0018764
 C    2.4588224    2.0488958   -0.6228290  0.00    0.0002837    0.0020039    0.0006753
 H    2.5841540    3.0311510   -1.0841439  0.00   -0.0009835   -0.0013001    0.0011779
 C    1.1978237    1.6217190   -0.2939597  0.00   -0.0045632    0.0056587   -0.0010610
 H    1.0865620    0.6270864    0.1548469  0.00   -0.0020888    0.0006692   -0.0036743
 C   -0.0188164    2.3680012   -0.4900948  0.00   -0.0013321    0.0000148   -0.0045621
 C    0.0717032    3.7349362   -1.0903437  0.00   -0.0032039   -0.0018229    0.0007732
 H   -0.9050872    4.2197009   -1.2055058  0.00    0.0007811    0.0009532   -0.0000070
 H    0.5418287    3.6951777   -2.0870901  0.00    0.0006263   -0.0007553   -0.0013101
 H    0.7029614    4.3953286   -0.4718692  0.00   -0.0003975   -0.0007721   -0.0031533
 C   -1.2120794    1.7659022   -0.1152599  0.00   -0.0006405   -0.0006491    0.0044456
 H   -1.1739161    0.7560478    0.3070799  0.00    0.0010583    0.0009294   -0.0014733
 C   -2.5021739    2.3258493   -0.2279532  0.00   -0.0049175   -0.0051235    0.0013872
 H   -2.6458663    3.3387440   -0.6205356  0.00   -0.0000394   -0.0031653    0.0019799
 N   -3.5972736    1.6765020    0.1163756  0.00   -0.0031569   -0.0151640    0.0007185
 H   -3.4774314    0.6949735    0.4634666  0.00    0.0009277   -0.0017357    0.0030198
 C   -4.9341977    2.2142057    0.0537776  0.00    0.0015693    0.0003088    0.0002298
 H   -4.9234663    3.1234182   -0.5691950  0.00    0.0018851   -0.0003682    0.0009087
 H   -5.5737417    1.4742778   -0.4537418  0.00    0.0001806    0.0000826   -0.0018345
 C   -5.5088923    2.5250763    1.4361642  0.00    0.0014852    0.0021167    0.0014193
 H   -5.4857432    1.6055426    2.0469460  0.00    0.0001623   -0.0021768   -0.0066685
 H   -4.8467576    3.2473496    1.9463449  0.00   -0.0009978    0.0020765   -0.0020392
 C   -6.9320107    3.0692912    1.3757740  0.00    0.0044038    0.0022208    0.0033737
 H   -6.9462782    3.9858174    0.7592560  0.00    0.0000850   -0.0071155   -0.0010802
 H   -7.5743174    2.3442512    0.8490137  0.00    0.0042154   -0.0002273   -0.0017234
 C   -7.5170818    3.3685439    2.7477422  0.00    0.0034503    0.0011000   -0.0035657
 H   -8.5513074    3.7362839    2.6714685  0.00    0.0036771    0.0009683   -0.0015010
 H   -7.5358751    2.4666385    3.3801871  0.00    0.0005714   -0.0002343    0.0013307
 H   -6.9290996    4.1329995    3.2813255  0.00    0.0006969   -0.0039599   -0.0004040
 O   -5.6515114   -1.1610898   -0.9317883  0.00    0.0007989   -0.0001066    0.0019403
 H   -4.8221360   -1.7388594   -0.6125492  0.00   -0.0006798    0.0004358   -0.0034735
 C   -6.7820576   -1.6607778   -0.5367876  0.00   -0.0022320    0.0025578    0.0006710
 O   -6.9827195   -2.6372723    0.1357719  0.00   -0.0026411   -0.0074185    0.0027312
 C   -7.9657270   -0.8327296   -1.0853551  0.00   -0.0007003   -0.0076184    0.0015804
 F   -7.7838819    0.4800934   -0.8910998  0.00   -0.0007693    0.0035598   -0.0001755
 F   -8.1039232   -1.0286146   -2.3959655  0.00   -0.0005133   -0.0022435    0.0022388
 F   -9.1025104   -1.1738077   -0.4920574  0.00   -0.0016608   -0.0001119   -0.0047087
 O   -2.8532581   -0.7773833    0.9801481  0.00    0.0016808   -0.0086588   -0.0026971
 C   -2.8441462   -1.9178813    0.4981885  0.00   -0.0020086    0.0000971    0.0040968
 O   -3.6645231   -2.4839906   -0.2509097  0.00    0.0046932   -0.0017970    0.0096305
 C   -1.6066281   -2.7609139    0.8941038  0.00   -0.0020382    0.0071617   -0.0001875
 F   -1.5551606   -2.9422926    2.2163053  0.00    0.0008503    0.0004887   -0.0000697
 F   -1.5912199   -3.9645662    0.3227304  0.00    0.0024668   -0.0025745    0.0020725
 F   -0.4783185   -2.1315626    0.5325833  0.00   -0.0032326   -0.0050824    0.0018374
78
 Energy =   -2041.3859304154
 C    8.2264506   -1.5033452   -0.2988166  0.00    0.0031791   -0.0023278    0.0001139
 C    9.2632927   -2.4495414    0.2181844  0.00   -0.0024553    0.0050508   -0.0010644
 C   10.3370616   -1.8073333    1.0742987  0.00    0.0013915   -0.0029407   -0.0035599
 C   10.7968193   -0.5260742    0.4074032  0.00   -0.0021755    0.0023819    0.0063010
 C    9.6725614    0.5152579    0.2879322  0.00    0.0046598    0.0021299    0.0006849
 C   10.1428061    1.6013544   -0.6928609  0.00    0.0014976    0.0049490   -0.0026999
 H    9.4828092    2.4803717   -0.7044888  0.00    0.0148157   -0.0024235    0.0002131
 H   10.2132034    1.2142846   -1.7210777  0.00   -0.0003507   -0.0021615   -0.0015014
 H   11.1438230    1.9493449   -0.3944931  0.00    0.0010381   -0.0003016   -0.0027756
 C    9.4123430    1.1772675    1.6542756  0.00   -0.0057358   -0.0027694    0.0050144
 H    8.5981214    1.9139991    1.5873018  0.00    0.0044870    0.0025282    0.0007396
 H   10.3178578    1.7014743    1.9986413  0.00    0.0010251   -0.0029482    0.0024817
 H    9.1298763    0.4424089    2.4223622  0.00    0.0031162   -0.0018912   -0.0019466
 H   11.1746582   -0.7684547   -0.6027663  0.00    0.0005723    0.0055395    0.0061425
 H   11.6401552   -0.0730966    0.9530905  0.00   -0.0015090    0.0032112   -0.0028624
 H    9.9427024   -1.5947847    2.0815652  0.00   -0.0003503    0.0009110    0.0043717
 H   11.1791119   -2.5026829    1.2120838  0.00   -0.0021509   -0.0037060    0.0001298
 H    8.7510042   -3.2696400    0.7558109  0.00   -0.0012792   -0.0014508   -0.0013594
 H    9.7204965   -2.9540647   -0.6584362  0.00   -0.0012097   -0.0003327    0.0007926
 C    7.0762871   -2.1726995   -0.9749963  0.00   -0.0032338   -0.0052954   -0.0022915
 H    6.5476284   -1.5186966   -1.6797981  0.00    0.0011722    0.0030297    0.0030655
 H    6.3426410   -2.5469184   -0.2350560  0.00    0.0013552   -0.0003137   -0.0083077
 H    7.4340223   -3.0649016   -1.5153995  0.00   -0.0012826   -0.0017428   -0.0018560
 C    8.3638815   -0.1256878   -0.1957659  0.00   -0.0031702    0.0048013    0.0007177
 C    7.3054953    0.8031955   -0.5290224  0.00   -0.0093991   -0.0055394    0.0046187
 H    7.6252320    1.7881189   -0.8769673  0.00   -0.0002448    0.0019322   -0.0023925
 C    5.9575843    0.6230426   -0.3491954  0.00    0.0004758   -0.0025272   -0.0057170
 H    5.6008436   -0.3038770    0.1101666  0.00    0.0020105   -0.0000707   -0.0020411
 C    4.9372416    1.5909189   -0.6762645  0.00   -0.0017617    0.0002832    0.0122980
 C    5.3446950    2.8870358   -1.3027726  0.00    0.0017192    0.0015508   -0.0097889
 H    4.4847678    3.4912711   -1.6146391  0.00   -0.0011672    0.0006745   -0.0028053
 H    5.9684314    2.7145550   -2.1948136  0.00   -0.0030852    0.0022363   -0.0012478
 H    5.9454639    3.4938952   -0.6034496  0.00    0.0006847   -0.0016166   -0.0034501
 C    3.6310761    1.2583054   -0.3891557  0.00   -0.0015799   -0.0017407    0.0023101
 H    3.4595096    0.2781290    0.0740888  0.00    0.0012019    0.0064754   -0.0032046
 C    2.4582772    2.0496983   -0.6224506  0.00   -0.0003894    0.0042035   -0.0003726
 H    2.5828412    3.0318584   -1.0842880  0.00   -0.0000019   -0.0018482    0.0013883
 C    1.1973476    1.6224838   -0.2933931  0.00   -0.0056350    0.0018804   -0.0022527
 H    1.0855866    0.6277904    0.1557262  0.00   -0.0000861    0.0042286   -0.0048367
 C   -0.0195776    2.3679915   -0.4907587  0.00   -0.0019975   -0.0030145   -0.0014210
 C    0.0696522    3.7346359   -1.0912914  0.00    0.0021213    0.0017964   -0.0059111
 H   -0.9074541    4.2192856   -1.2063058  0.00    0.0044091   -0.0009379    0.0007176
 H    0.5400706    3.6951200   -2.0884327  0.00   -0.0032660   -0.0007694    0.0049445
 H    0.7013333    4.3949119   -0.4729904  0.00   -0.0021310    0.0001335   -0.0040543
 C   -1.2123225    1.7651286   -0.1155912  0.00    0.0010336   -0.0018389    0.0028638
 H   -1.1735902    0.7553009    0.3066053  0.00    0.0011782    0.0003311   -0.0001723
 C   -2.5024609    2.3242288   -0.2289022  0.00   -0.0052271   -0.0061567    0.0008476
 H   -2.6464118    3.3363490   -0.6223838  0.00   -0.0008376    0.0027641    0.0003971
 N   -3.5973760    1.6748165    0.1152755  0.00   -0.0032307   -0.0174343    0.0040920
 H   -3.4771246    0.6937952    0.4631170  0.00    0.0009077   -0.0036497    0.0023299
 C   -4.9344517    2.2118176    0.0526287  0.00    0.0022862    0.0019664    0.0009332
 H   -4.9244085    3.1206758   -0.5711413  0.00    0.0011342   -0.0033166    0.0013512
 H   -5.5730649    1.4701991   -0.4533099  0.00   -0.0026460    0.0019826   -0.0041217
 C   -5.5087780    2.5234704    1.4350431  0.00    0.0043360   -0.0013104    0.0013095
 H   -5.4861429    1.6035432    2.0455912  0.00    0.0006881    0.0016011   -0.0067087
 H   -4.8463964    3.2457211    1.9448350  0.00    0.0004442    0.0011700   -0.0011355
 C   -6.9313049    3.0684494    1.3749789  0.00    0.0013029   -0.0023527   -0.0021326
 H   -6.9454960    3.9843255    0.7575158  0.00    0.0006125   -0.0048711    0.0015138
 H   -7.5737794    2.3437558    0.8478668  0.00    0.0033684   -0.0008259    0.0004306
 C   -7.5156381    3.3678266    2.7469468  0.00   -0.0015943   -0.0009267    0.0022844
 H   -8.5501882    3.7352522    2.6714737  0.00    0.0067186    0.0023796   -0.0016671
 H   -7.5345228    2.4665216    3.3806617  0.00    0.0017114    0.0002764   -0.0037544
 H   -6.9269120    4.1316838    3.2803569  0.00    0.0000775   -0.0006396   -0.0005996
 O   -5.6496514   -1.1617110   -0.9293898  0.00    0.0093088   -0.0035055    0.0019788
 H   -4.8216034   -1.7416129   -0.6099618  0.00    0.0010318    0.0029726   -0.0038773
 C   -6.7805003   -1.6613541   -0.5361613  0.00   -0.0131915   -0.0115379    0.0090976
 O   -6.9823024   -2.6386236    0.1356687  0.00    0.0008860    0.0069344   -0.0072120
 C   -7.9636717   -0.8328955   -1.0853604  0.00   -0.0057042   -0.0044766    0.0043611
 F   -7.7816196    0.4801406   -0.8908270  0.00   -0.0001709   -0.0013484   -0.0017066
 F   -8.1026237   -1.0285538   -2.3958491  0.00    0.0035773   -0.0020503    0.0016186
 F   -9.1006111   -1.1736674   -0.4922205  0.00   -0.0020679    0.0000775   -0.0027384
 O   -2.8508545   -0.7795744    0.9785009  0.00   -0.0005559   -0.0048547   -0.0007149
 C   -2.8433711   -1.9213107    0.4997116  0.00    0.0004480    0.0009581    0.0005069
 O   -3.6647038   -2.4887555   -0.2472710  0.00   -0.0005042   -0.0003890    0.0077934
 C   -1.6064950   -2.7640651    0.8969278  0.00    0.0013352    0.0003772   -0.0020715
 F   -1.5556870   -2.9428941    2.2193469  0.00    0.0012459   -0.0013422    0.0036472
 F   -1.5917480   -3.9689880    0.3276499  0.00    0.0013913   -0.0002433    0.0039656
 F   -0.4773491   -2.1368163    0.5347212  0.00   -0.0037104   -0.0025277    0.0007544
78
 Energy =   -2041.3859456071
 C    8.2255238   -1.5033845   -0.2987685  0.00   -0.0006837    0.0038479   -0.0038420
 C    9.2610572   -2.4496443    0.2197936  0.00    0.0025865    0.0042836   -0.0055271
 C   10.3349327   -1.8074414    1.0755075  0.00    0.0028036    0.0001175    0.0007776
 C   10.7951819   -0.5264949    0.4079572  0.00    0.0042753   -0.0009150    0.0040447
 C    9.6720959    0.5152489    0.2882509  0.00   -0.0023180    0.0026481    0.0009550
 C   10.1426705    1.6013616   -0.6924856  0.00   -0.0000657   -0.0022769   -0.0053183
 H    9.4830483    2.4803000   -0.7041303  0.00    0.0116164    0.0010060    0.0002572
 H   10.2128078    1.2139910   -1.7208161  0.00   -0.0000632   -0.0005812    0.0013867
 H   11.1434950    1.9490705   -0.3941268  0.00    0.0051830    0.0005985   -0.0018439
 C    9.4119156    1.1766836    1.6548170  0.00    0.0005759    0.0024929    0.0018030
 H    8.5974410    1.9127958    1.5878655  0.00    0.0030382    0.0065435    0.0014520
 H   10.3177779    1.7006562    1.9996132  0.00   -0.0037885   -0.0039213    0.0002489
 H    9.1296880    0.4419316    2.4224585  0.00    0.0011906   -0.0073162    0.0024905
 H   11.1731967   -0.7685895   -0.6021676  0.00   -0.0007513    0.0021761    0.0049900
 H   11.6392098   -0.0736118    0.9524333  0.00   -0.0009762    0.0031039    0.0008854
 H    9.9404378   -1.5940319    2.0827725  0.00    0.0011662    0.0004057    0.0013111
 H   11.1766385   -2.5031652    1.2140462  0.00   -0.0027394   -0.0024808   -0.0004562
 H    8.7481395   -3.2689518    0.7576541  0.00   -0.0026489   -0.0035135    0.0000548
 H    9.7186388   -2.9550037   -0.6563074  0.00   -0.0024106   -0.0003541    0.0021607
 C    7.0761485   -2.1724406   -0.9772540  0.00    0.0023399   -0.0021772    0.0009025
 H    6.5487492   -1.5174344   -1.6820643  0.00    0.0006103    0.0016542    0.0025266
 H    6.3419317   -2.5464660   -0.2379876  0.00   -0.0010379   -0.0020119   -0.0085092
 H    7.4347929   -3.0645259   -1.5175337  0.00   -0.0028160    0.0005052   -0.0009474
 C    8.3631998   -0.1254321   -0.1958820  0.00   -0.0019550   -0.0021824    0.0010076
 C    7.3049719    0.8031955   -0.5298632  0.00   -0.0023277    0.0033226    0.0027802
 H    7.6248169    1.7881529   -0.8780563  0.00   -0.0001593   -0.0000188   -0.0023595
 C    5.9573684    0.6238768   -0.3495705  0.00   -0.0061192   -0.0032845   -0.0052477
 H    5.6010176   -0.3027385    0.1103980  0.00   -0.0003066   -0.0020774   -0.0010966
 C    4.9368312    1.5917452   -0.6767298  0.00   -0.0003906    0.0014978    0.0088892
 C    5.3439771    2.8875236   -1.3045589  0.00   -0.0032996    0.0046500   -0.0043094
 H    4.4838624    3.4907102   -1.6183178  0.00   -0.0013175   -0.0013004   -0.0023009
 H    5.9687336    2.7153238   -2.1956072  0.00    0.0003851    0.0003647   -0.0031466
 H    5.9423049    3.4963600   -0.6047274  0.00    0.0020581   -0.0031849   -0.0048999
 C    3.6307725    1.2593995   -0.3890123  0.00   -0.0003989    0.0022867    0.0018736
 H    3.4594852    0.2798910    0.0749034  0.00    0.0002666    0.0010128   -0.0007866
 C    2.4577585    2.0505240   -0.6221249  0.00   -0.0025065    0.0016114    0.0004486
 H    2.5817868    3.0322895   -1.0844236  0.00    0.0011702    0.0018056   -0.0000472
 C    1.1968140    1.6232493   -0.2929716  0.00   -0.0029776    0.0005705   -0.0053608
 H    1.0846984    0.6286017    0.1560346  0.00    0.0012882    0.0035728   -0.0037060
 C   -0.0202937    2.3678845   -0.4914406  0.00   -0.0030580   -0.0009387    0.0011929
 C    0.0680857    3.7344372   -1.0922605  0.00    0.0052736   -0.0007633   -0.0041974
 H   -0.9090130    4.2190421   -1.2069883  0.00    0.0039241   -0.0009546    0.0001708
 H    0.5387187    3.6943973   -2.0892004  0.00   -0.0037148    0.0005540    0.0034339
 H    0.7000584    4.3943389   -0.4739433  0.00   -0.0022118    0.0018829   -0.0043305
 C   -1.2124953    1.7644802   -0.1157235  0.00   -0.0005097   -0.0016150    0.0001815
 H   -1.1729761    0.7547433    0.3062153  0.00    0.0007485   -0.0017753    0.0017929
 C   -2.5029026    2.3226430   -0.2295370  0.00   -0.0035832   -0.0030228   -0.0000958
 H   -2.6471107    3.3345865   -0.6235902  0.00   -0.0010903    0.0015453    0.0008672
 N   -3.5975755    1.6730430    0.1147483  0.00    0.0008255   -0.0163303    0.0037133
 H   -3.4767312    0.6924799    0.4631938  0.00   -0.0001770   -0.0059309    0.0019580
 C   -4.9344562    2.2099106    0.0517138  0.00    0.0003657   -0.0024043    0.0034964
 H   -4.9246552    3.1181819   -0.5726426  0.00    0.0009929   -0.0017539   -0.0002001
 H   -5.5726996    1.4672664   -0.4532393  0.00   -0.0036050    0.0041628   -0.0043767
 C   -5.5082174    2.5221376    1.4341875  0.00    0.0011133   -0.0015555   -0.0012132
 H   -5.4860394    1.6019301    2.0442899  0.00    0.0017152    0.0028303   -0.0047904
 H   -4.8460224    3.2446815    1.9435699  0.00    0.0028587    0.0002676    0.0000833
 C   -6.9304874    3.0676012    1.3743168  0.00    0.0022333   -0.0046731   -0.0031854
 H   -6.9444105    3.9828384    0.7560710  0.00    0.0006143   -0.0017071    0.0030988
 H   -7.5729468    2.3433442    0.8468472  0.00    0.0012482   -0.0032379    0.0014153
 C   -7.5143794    3.3671453    2.7464159  0.00   -0.0022315    0.0009396   -0.0019626
 H   -8.5488568    3.7347684    2.6707399  0.00    0.0071474    0.0024080    0.0003117
 H   -7.5327031    2.4664645    3.3806332  0.00   -0.0000425   -0.0040864   -0.0035026
 H   -6.9250781    4.1304144    3.2796173  0.00    0.0007118    0.0035577   -0.0001287
 O   -5.6477898   -1.1625366   -0.9271715  0.00    0.0000871   -0.0013914   -0.0003127
 H   -4.8210537   -1.7436368   -0.6079672  0.00    0.0034439    0.0010862   -0.0016513
 C   -6.7796046   -1.6619029   -0.5355268  0.00   -0.0058134   -0.0115976    0.0101670
 O   -6.9818152   -2.6396066    0.1354645  0.00   -0.0020296    0.0061397   -0.0069665
 C   -7.9624544   -0.8331734   -1.0850337  0.00   -0.0012492   -0.0014606   -0.0027506
 F   -7.7802932    0.4799616   -0.8913263  0.00    0.0005074   -0.0012471    0.0011481
 F   -8.1008855   -1.0288726   -2.3956869  0.00    0.0035452   -0.0042019    0.0023825
 F   -9.0994648   -1.1735424   -0.4924382  0.00   -0.0050507   -0.0012205   -0.0001368
 O   -2.8489151   -0.7815857    0.9772028  0.00   -0.0009071    0.0065068    0.0037934
 C   -2.8425533   -1.9240791    0.5009822  0.00    0.0027890   -0.0056288   -0.0020117
 O   -3.6647341   -2.4926938   -0.2439415  0.00   -0.0047803   -0.0019447    0.0038221
 C   -1.6060682   -2.7665221    0.8992233  0.00    0.0022257   -0.0097710    0.0017593
 F   -1.5555979   -2.9434742    2.2220566  0.00    0.0004212   -0.0009112    0.0032385
 F   -1.5914945   -3.9726607    0.3319818  0.00   -0.0012329    0.0017358    0.0044537
 F   -0.4765451   -2.1411604    0.5364940  0.00    0.0008916    0.0032138   -0.0015528
78
 Energy =   -2041.3859664447
 C    8.2243742   -1.5032674   -0.2990564  0.00   -0.0022747    0.0033891   -0.0050450
 C    9.2586084   -2.4496012    0.2216591  0.00    0.0010255   -0.0017855   -0.0032196
 C   10.3328242   -1.8073764    1.0772409  0.00   -0.0000744    0.0001938    0.0016041
 C   10.7937681   -0.5269836    0.4089065  0.00    0.0009039   -0.0035577   -0.0030972
 C    9.6713745    0.5152970    0.2886906  0.00   -0.0035546   -0.0014715    0.0018251
 C   10.1426079    1.6011528   -0.6920752  0.00    0.0003785   -0.0050863   -0.0030696
 H    9.4835853    2.4802642   -0.7030704  0.00    0.0089403    0.0038264   -0.0010815
 H   10.2122659    1.2136666   -1.7203990  0.00    0.0000440    0.0001955    0.0014907
 H   11.1435387    1.9486000   -0.3937678  0.00    0.0056020   -0.0004922   -0.0018792
 C    9.4114364    1.1761608    1.6554077  0.00    0.0026216    0.0019497   -0.0002980
 H    8.5967730    1.9116414    1.5889471  0.00    0.0004426    0.0113466    0.0016987
 H   10.3174757    1.6994597    2.0005283  0.00   -0.0035783   -0.0016171   -0.0003100
 H    9.1296956    0.4412188    2.4226252  0.00   -0.0006798   -0.0109051    0.0053418
 H   11.1714922   -0.7687695   -0.6013152  0.00   -0.0013817   -0.0018123    0.0036703
 H   11.6382774   -0.0741854    0.9516459  0.00    0.0041777    0.0057797    0.0081956
 H    9.9382440   -1.5929804    2.0844660  0.00    0.0021849   -0.0001556   -0.0016233
 H   11.1736666   -2.5039717    1.2165203  0.00   -0.0016751   -0.0013912   -0.0008104
 H    8.7443450   -3.2684137    0.7600920  0.00    0.0011100    0.0030547   -0.0028791
 H    9.7161670   -2.9565717   -0.6535443  0.00   -0.0018079   -0.0002048    0.0024546
 C    7.0759620   -2.1720984   -0.9800381  0.00    0.0036574    0.0029028    0.0042069
 H    6.5498679   -1.5160744   -1.6850483  0.00    0.0010400   -0.0002983    0.0032206
 H    6.3407058   -2.5461105   -0.2418171  0.00   -0.0016863   -0.0024907   -0.0091835
 H    7.4351831   -3.0640083   -1.5202067  0.00   -0.0024151    0.0010483   -0.0009941
 C    8.3623095   -0.1253109   -0.1959884  0.00   -0.0012508    0.0008809    0.0009228
 C    7.3044616    0.8036806   -0.5305301  0.00    0.0000432    0.0039722    0.0006781
 H    7.6245830    1.7882862   -0.8795738  0.00    0.0001204   -0.0001402   -0.0018518
 C    5.9568917    0.6248230   -0.3501230  0.00   -0.0042271    0.0001667   -0.0048518
 H    5.6012543   -0.3014054    0.1107117  0.00   -0.0035200   -0.0048636   -0.0001720
 C    4.9364446    1.5928071   -0.6773126  0.00   -0.0007218    0.0070625    0.0032203
 C    5.3431117    2.8885036   -1.3068564  0.00   -0.0069006   -0.0005502   -0.0023124
 H    4.4827030    3.4898975   -1.6232858  0.00   -0.0024784   -0.0018566   -0.0013009
 H    5.9693990    2.7165304   -2.1967484  0.00    0.0018270   -0.0020191   -0.0032537
 H    5.9389012    3.4995007   -0.6070186  0.00    0.0041757   -0.0021759   -0.0029648
 C    3.6304372    1.2609225   -0.3887867  0.00   -0.0013878    0.0053082    0.0016054
 H    3.4595670    0.2820731    0.0759340  0.00   -0.0007400   -0.0039658    0.0014169
 C    2.4569426    2.0515749   -0.6217204  0.00   -0.0002395    0.0010618   -0.0004015
 H    2.5806850    3.0329781   -1.0845754  0.00    0.0013899    0.0042321   -0.0007742
 C    1.1959927    1.6241843   -0.2927185  0.00    0.0008958    0.0032976   -0.0088505
 H    1.0836988    0.6299822    0.1562750  0.00    0.0020073   -0.0024335   -0.0005147
 C   -0.0213444    2.3678298   -0.4921767  0.00   -0.0002648    0.0022858    0.0012357
 C    0.0663560    3.7342661   -1.0936244  0.00    0.0027997   -0.0031936    0.0094950
 H   -0.9107082    4.2186329   -1.2079562  0.00    0.0013043    0.0001287   -0.0005564
 H    0.5367197    3.6941141   -2.0897926  0.00    0.0013245    0.0001428   -0.0082088
 H    0.6982978    4.3940905   -0.4752160  0.00   -0.0022387    0.0027575   -0.0046775
 C   -1.2126821    1.7635310   -0.1158322  0.00   -0.0038132   -0.0026728   -0.0022717
 H   -1.1719124    0.7537350    0.3059128  0.00   -0.0005686   -0.0008384    0.0027524
 C   -2.5034651    2.3205669   -0.2303576  0.00   -0.0026078    0.0010611   -0.0000693
 H   -2.6479816    3.3325199   -0.6250877  0.00   -0.0011737   -0.0033175    0.0026633
 N   -3.5977439    1.6706754    0.1144465  0.00    0.0028479   -0.0147508    0.0005076
 H   -3.4763230    0.6902947    0.4630865  0.00   -0.0010672   -0.0064633    0.0017954
 C   -4.9345148    2.2075421    0.0507687  0.00   -0.0005006   -0.0085713    0.0020470
 H   -4.9249170    3.1149625   -0.5746176  0.00    0.0014514    0.0000789   -0.0005833
 H   -5.5728630    1.4641747   -0.4532392  0.00   -0.0022974    0.0058865   -0.0037609
 C   -5.5074539    2.5204118    1.4330679  0.00    0.0000601    0.0035286   -0.0004401
 H   -5.4854361    1.6001248    2.0426427  0.00    0.0021373    0.0011271   -0.0009937
 H   -4.8448329    3.2431316    1.9420312  0.00    0.0013738   -0.0025224   -0.0005606
 C   -6.9294846    3.0662733    1.3733520  0.00    0.0035965   -0.0015107   -0.0008201
 H   -6.9428004    3.9809867    0.7544515  0.00   -0.0000179    0.0006217    0.0039040
 H   -7.5718168    2.3424539    0.8456622  0.00   -0.0021187   -0.0065337    0.0013277
 C   -7.5131579    3.3664543    2.7456269  0.00    0.0060256    0.0037473   -0.0069282
 H   -8.5473060    3.7342714    2.6701775  0.00    0.0037473    0.0041740    0.0006724
 H   -7.5309934    2.4661264    3.3796716  0.00   -0.0016853   -0.0096116    0.0000001
 H   -6.9227881    4.1291594    3.2787444  0.00   -0.0017076    0.0034319   -0.0020200
 O   -5.6456669   -1.1637686   -0.9243904  0.00   -0.0101226   -0.0006399   -0.0014185
 H   -4.8198062   -1.7460267   -0.6054665  0.00    0.0009803   -0.0004372    0.0006533
 C   -6.7788437   -1.6627538   -0.5346315  0.00    0.0067232    0.0029995    0.0007653
 O   -6.9819297   -2.6406099    0.1350115  0.00   -0.0067519   -0.0096370    0.0038008
 C   -7.9612813   -0.8336259   -1.0849236  0.00    0.0042625   -0.0021876    0.0016876
 F   -7.7789009    0.4795491   -0.8913188  0.00   -0.0013811   -0.0029811    0.0003833
 F   -8.0982400   -1.0298493   -2.3955128  0.00   -0.0000605   -0.0034136    0.0012438
 F   -9.0987349   -1.1739019   -0.4926377  0.00   -0.0007983    0.0008825   -0.0045247
 O   -2.8467396   -0.7839288    0.9759308  0.00    0.0013940    0.0017978    0.0014822
 C   -2.8412911   -1.9277769    0.5025657  0.00   -0.0003095   -0.0018745    0.0023518
 O   -3.6650232   -2.4977937   -0.2396103  0.00   -0.0024385   -0.0011252    0.0022779
 C   -1.6051607   -2.7702817    0.9023742  0.00    0.0006197   -0.0026628    0.0080015
 F   -1.5549280   -2.9446266    2.2258591  0.00    0.0003210    0.0001528   -0.0010697
 F   -1.5913803   -3.9773294    0.3378903  0.00   -0.0007112   -0.0030565    0.0010910
 F   -0.4753063   -2.1460809    0.5386249  0.00    0.0005414    0.0017738   -0.0015337
78
 Energy =   -2041.3859826057
 C    8.2232373   -1.5029983   -0.2995245  0.00    0.0032163   -0.0033456   -0.0012319
 C    9.2566442   -2.4496314    0.2233262  0.00   -0.0047839    0.0003474   -0.0011659
 C   10.3311157   -1.8072741    1.0788604  0.00   -0.0041909    0.0003844   -0.0023038
 C   10.7927425   -0.5275209    0.4096276  0.00   -0.0045668   -0.0039090   -0.0040107
 C    9.6706616    0.5151395    0.2891367  0.00   -0.0023106   -0.0024773    0.0018525
 C   10.1426638    1.6006954   -0.6916973  0.00   -0.0008114   -0.0008170   -0.0004005
 H    9.4843229    2.4805055   -0.7026589  0.00    0.0095992    0.0015298   -0.0009117
 H   10.2120361    1.2134282   -1.7199639  0.00   -0.0000415   -0.0011687   -0.0006162
 H   11.1438802    1.9477961   -0.3936150  0.00    0.0044728   -0.0018083   -0.0015093
 C    9.4111588    1.1757572    1.6559311  0.00   -0.0039915   -0.0025853    0.0008151
 H    8.5962729    1.9110537    1.5903325  0.00    0.0008952    0.0120549    0.0012235
 H   10.3170688    1.6982774    2.0012957  0.00    0.0015258    0.0026407    0.0003835
 H    9.1298648    0.4404419    2.4230760  0.00   -0.0012862   -0.0102496    0.0040644
 H   11.1697322   -0.7691780   -0.6005711  0.00    0.0000190   -0.0054403   -0.0002882
 H   11.6376382   -0.0746320    0.9510690  0.00    0.0071718    0.0071154    0.0124659
 H    9.9368300   -1.5918465    2.0859308  0.00    0.0012913   -0.0004662   -0.0015206
 H   11.1708294   -2.5047421    1.2185300  0.00    0.0028392   -0.0025062   -0.0001566
 H    8.7412015   -3.2678359    0.7620993  0.00    0.0026802    0.0069407   -0.0033904
 H    9.7139255   -2.9581080   -0.6508424  0.00    0.0008509   -0.0010206   -0.0002626
 C    7.0760040   -2.1717291   -0.9824701  0.00   -0.0009738    0.0047567    0.0052336
 H    6.5511329   -1.5149775   -1.6878445  0.00    0.0008864   -0.0014751    0.0038360
 H    6.3393591   -2.5459891   -0.2454936  0.00    0.0001756   -0.0014414   -0.0108493
 H    7.4354825   -3.0635026   -1.5227078  0.00   -0.0011783    0.0016031   -0.0004935
 C    8.3614543   -0.1252208   -0.1960627  0.00   -0.0001318    0.0051404    0.0012069
 C    7.3040746    0.8041583   -0.5309643  0.00   -0.0000701    0.0078854   -0.0038995
 H    7.6245913    1.7884660   -0.8811087  0.00   -0.0004888   -0.0026106    0.0001032
 C    5.9563820    0.6257498   -0.3508530  0.00   -0.0004384    0.0023487   -0.0020370
 H    5.6014838   -0.3001960    0.1110093  0.00   -0.0063162   -0.0054040   -0.0006458
 C    4.9361253    1.5940472   -0.6778526  0.00   -0.0025334    0.0084361   -0.0005126
 C    5.3421949    2.8894542   -1.3090540  0.00   -0.0012937   -0.0083795   -0.0051006
 H    4.4815978    3.4887963   -1.6280660  0.00   -0.0056367    0.0005288   -0.0015922
 H    5.9702780    2.7169104   -2.1979522  0.00   -0.0011527   -0.0020814    0.0010065
 H    5.9361811    3.5023327   -0.6095386  0.00    0.0048954   -0.0008023   -0.0013620
 C    3.6301462    1.2625452   -0.3885556  0.00   -0.0033230    0.0016365    0.0036914
 H    3.4595094    0.2838542    0.0769133  0.00   -0.0002860   -0.0021233    0.0004958
 C    2.4562132    2.0526979   -0.6214319  0.00    0.0022989    0.0025455   -0.0019961
 H    2.5798854    3.0339088   -1.0846896  0.00    0.0008823    0.0048542   -0.0007704
 C    1.1952274    1.6251420   -0.2927760  0.00    0.0049500    0.0015814   -0.0083650
 H    1.0830232    0.6311770    0.1565062  0.00    0.0025984   -0.0043642    0.0002579
 C   -0.0223419    2.3678741   -0.4927787  0.00    0.0016138    0.0012641    0.0021886
 C    0.0648538    3.7339931   -1.0945442  0.00    0.0021247   -0.0007488    0.0045426
 H   -0.9122408    4.2181446   -1.2088662  0.00   -0.0004689    0.0003877   -0.0003748
 H    0.5348093    3.6940805   -2.0911545  0.00    0.0007618   -0.0005781   -0.0045928
 H    0.6964445    4.3943449   -0.4764778  0.00   -0.0008931    0.0028812   -0.0041177
 C   -1.2129630    1.7625450   -0.1159953  0.00   -0.0043164   -0.0017197   -0.0045995
 H   -1.1710530    0.7527510    0.3057952  0.00   -0.0016687    0.0004213    0.0028595
 C   -2.5040236    2.3186438   -0.2311487  0.00   -0.0019519   -0.0004056    0.0022312
 H   -2.6490880    3.3303585   -0.6262955  0.00   -0.0011244   -0.0036148    0.0025520
 N   -3.5978421    1.6683711    0.1142459  0.00    0.0006820   -0.0164787   -0.0017337
 H   -3.4761023    0.6879120    0.4630033  0.00   -0.0009012   -0.0040160    0.0007873
 C   -4.9346396    2.2052385    0.0500152  0.00    0.0018779   -0.0074730   -0.0015277
 H   -4.9249700    3.1120083   -0.5764723  0.00    0.0017542   -0.0003625    0.0009570
 H   -5.5734287    1.4618653   -0.4532983  0.00   -0.0014548    0.0043600   -0.0038980
 C   -5.5067906    2.5190158    1.4320576  0.00    0.0013718    0.0027690   -0.0003558
 H   -5.4845392    1.5985557    2.0410994  0.00    0.0013509    0.0002324    0.0023895
 H   -4.8434887    3.2414403    1.9405928  0.00    0.0003514   -0.0024360   -0.0004082
 C   -6.9285110    3.0649472    1.3723941  0.00    0.0022415    0.0005028   -0.0012028
 H   -6.9414510    3.9793477    0.7532067  0.00   -0.0004806    0.0021441    0.0027594
 H   -7.5709235    2.3411380    0.8447687  0.00   -0.0025383   -0.0063023    0.0022620
 C   -7.5117531    3.3659605    2.7445050  0.00    0.0043315    0.0002975   -0.0017023
 H   -8.5458653    3.7340511    2.6698227  0.00    0.0042234    0.0054263   -0.0009784
 H   -7.5304903    2.4653447    3.3784266  0.00   -0.0001988   -0.0069968   -0.0005459
 H   -6.9207180    4.1282697    3.2777407  0.00   -0.0029041    0.0015920   -0.0033505
 O   -5.6441842   -1.1650021   -0.9219728  0.00   -0.0071051   -0.0019578   -0.0009378
 H   -4.8186749   -1.7481964   -0.6031114  0.00   -0.0026246   -0.0010527    0.0017540
 C   -6.7781175   -1.6635539   -0.5337936  0.00    0.0031224    0.0047420    0.0002836
 O   -6.9831212   -2.6417111    0.1346234  0.00   -0.0032506   -0.0143604    0.0071444
 C   -7.9600916   -0.8341523   -1.0845662  0.00    0.0038618   -0.0076644   -0.0014742
 F   -7.7781634    0.4787339   -0.8913205  0.00    0.0002205    0.0037679    0.0003471
 F   -8.0959159   -1.0312264   -2.3952977  0.00   -0.0013912   -0.0019131    0.0023347
 F   -9.0980506   -1.1742664   -0.4929517  0.00    0.0010423    0.0004857   -0.0057286
 O   -2.8444921   -0.7861100    0.9749074  0.00    0.0025947   -0.0076355   -0.0032332
 C   -2.8400627   -1.9313408    0.5041224  0.00   -0.0059594    0.0027637    0.0065528
 O   -3.6654636   -2.5026686   -0.2355127  0.00    0.0027599    0.0039915    0.0040000
 C   -1.6042382   -2.7739637    0.9056423  0.00   -0.0034985    0.0056517    0.0049009
 F   -1.5542159   -2.9456895    2.2293995  0.00    0.0014885    0.0001069   -0.0008358
 F   -1.5915099   -3.9819819    0.3435334  0.00    0.0016843   -0.0039935   -0.0000319
 F   -0.4742595   -2.1504228    0.5405099  0.00   -0.0013902   -0.0031198   -0.0001159
78
 Energy =   -2041.3860030064
 C    8.2221644   -1.5027887   -0.2999570  0.00    0.0058161   -0.0036452    0.0023881
 C    9.2543671   -2.4495405    0.2249885  0.00   -0.0025872    0.0039023   -0.0053220
 C   10.3290492   -1.8073090    1.0802218  0.00   -0.0005483   -0.0014289   -0.0030386
 C   10.7914245   -0.5282589    0.4101602  0.00   -0.0012576    0.0009804    0.0032310
 C    9.6698946    0.5149112    0.2897669  0.00   -0.0039142   -0.0002632   -0.0003492
 C   10.1427322    1.6001127   -0.6914417  0.00   -0.0040883    0.0028290    0.0002287
 H    9.4853896    2.4810434   -0.7031978  0.00    0.0113257   -0.0033400    0.0008208
 H   10.2118140    1.2126273   -1.7195987  0.00   -0.0004870   -0.0023521   -0.0012269
 H   11.1443674    1.9464460   -0.3939711  0.00    0.0048197   -0.0020327   -0.0000723
 C    9.4107063    1.1751888    1.6567408  0.00   -0.0076436   -0.0011613    0.0043379
 H    8.5958200    1.9110437    1.5924234  0.00    0.0042765    0.0083679    0.0000361
 H   10.3168108    1.6970272    2.0024984  0.00    0.0024652    0.0037228   -0.0006170
 H    9.1298879    0.4394720    2.4239343  0.00   -0.0018169   -0.0085592    0.0013989
 H   11.1678711   -0.7697802   -0.5997891  0.00    0.0015701   -0.0089012   -0.0065110
 H   11.6370779   -0.0749246    0.9506937  0.00    0.0029998    0.0036188    0.0118718
 H    9.9356001   -1.5907312    2.0872555  0.00   -0.0005556   -0.0010227   -0.0005922
 H   11.1678325   -2.5059562    1.2201346  0.00    0.0034522   -0.0001718   -0.0001127
 H    8.7382651   -3.2668901    0.7636596  0.00   -0.0009021    0.0038353    0.0009975
 H    9.7117691   -2.9596518   -0.6480808  0.00    0.0017779   -0.0003877   -0.0017888
 C    7.0762255   -2.1713243   -0.9847803  0.00   -0.0043670    0.0031367    0.0034144
 H    6.5528522   -1.5136759   -1.6902437  0.00   -0.0014432   -0.0010289    0.0020874
 H    6.3381173   -2.5460769   -0.2494457  0.00    0.0009664   -0.0005714   -0.0106746
 H    7.4357682   -3.0630037   -1.5254858  0.00   -0.0001086    0.0044327    0.0013982
 C    8.3605412   -0.1249822   -0.1959912  0.00   -0.0022032    0.0081890   -0.0011172
 C    7.3035562    0.8050497   -0.5316947  0.00   -0.0015355   -0.0028678   -0.0027049
 H    7.6243695    1.7885284   -0.8825980  0.00    0.0019405    0.0040856   -0.0013971
 C    5.9557400    0.6267644   -0.3518380  0.00    0.0030955    0.0053821    0.0026230
 H    5.6015566   -0.2989791    0.1112689  0.00   -0.0079315   -0.0035908   -0.0026891
 C    4.9356091    1.5957084   -0.6782566  0.00   -0.0044157   -0.0011694   -0.0017623
 C    5.3411378    2.8898784   -1.3114928  0.00    0.0036111   -0.0025704   -0.0065495
 H    4.4803024    3.4876796   -1.6330208  0.00   -0.0046110    0.0000940   -0.0008967
 H    5.9706201    2.7160686   -2.1993726  0.00   -0.0027727   -0.0016525    0.0033691
 H    5.9338550    3.5049803   -0.6125046  0.00    0.0030993   -0.0022854   -0.0035792
 C    3.6297418    1.2643613   -0.3882868  0.00   -0.0043191   -0.0035963    0.0067513
 H    3.4593671    0.2855960    0.0779134  0.00    0.0002961    0.0029677   -0.0018172
 C    2.4556025    2.0542010   -0.6212787  0.00    0.0026386    0.0042749   -0.0036085
 H    2.5793193    3.0353844   -1.0848055  0.00    0.0000985    0.0037170    0.0000326
 C    1.1946024    1.6262350   -0.2931305  0.00    0.0077062   -0.0065890   -0.0036663
 H    1.0828566    0.6320180    0.1565714  0.00    0.0034227    0.0006492   -0.0022915
 C   -0.0233388    2.3678989   -0.4933020  0.00    0.0017883   -0.0008561    0.0031598
 C    0.0633379    3.7336465   -1.0953963  0.00    0.0011891    0.0036901   -0.0061011
 H   -0.9139149    4.2175827   -1.2096930  0.00   -0.0009474   -0.0003679   -0.0002673
 H    0.5327319    3.6936760   -2.0929338  0.00   -0.0019465   -0.0004317    0.0047804
 H    0.6943812    4.3949823   -0.4778650  0.00    0.0007473    0.0016613   -0.0042327
 C   -1.2134422    1.7615047   -0.1163083  0.00   -0.0012016   -0.0006963   -0.0053400
 H   -1.1706996    0.7518253    0.3058597  0.00   -0.0016068    0.0015039    0.0021119
 C   -2.5047463    2.3165422   -0.2318096  0.00   -0.0001271   -0.0030797    0.0036897
 H   -2.6509091    3.3278292   -0.6271614  0.00   -0.0004069   -0.0009494    0.0010922
 N   -3.5979444    1.6656664    0.1139526  0.00   -0.0041385   -0.0216236   -0.0015414
 H   -3.4760914    0.6851816    0.4632984  0.00    0.0003329   -0.0001601   -0.0016751
 C   -4.9345818    2.2027393    0.0492021  0.00    0.0040742   -0.0014845   -0.0033074
 H   -4.9244104    3.1089207   -0.5782612  0.00    0.0017696   -0.0004141    0.0022757
 H   -5.5742825    1.4601160   -0.4535631  0.00   -0.0014588    0.0001299   -0.0047265
 C   -5.5059523    2.5177720    1.4310317  0.00    0.0039991   -0.0028040   -0.0024921
 H   -5.4832221    1.5969787    2.0394575  0.00   -0.0001495    0.0007366    0.0056314
 H   -4.8420274    3.2397667    1.9391414  0.00    0.0004326   -0.0008972    0.0001525
 C   -6.9272815    3.0634837    1.3713012  0.00   -0.0032068    0.0006565   -0.0013223
 H   -6.9403395    3.9776949    0.7520823  0.00   -0.0002904    0.0032316    0.0001964
 H   -7.5700576    2.3392867    0.8441299  0.00   -0.0001138   -0.0031316    0.0040401
 C   -7.5100187    3.3653929    2.7432392  0.00   -0.0017183   -0.0046278    0.0016383
 H   -8.5439295    3.7344280    2.6687645  0.00    0.0055837    0.0046913   -0.0016656
 H   -7.5300502    2.4641497    3.3767471  0.00    0.0011190   -0.0014676   -0.0010416
 H   -6.9186418    4.1274995    3.2762943  0.00   -0.0015295    0.0003225   -0.0023263
 O   -5.6431008   -1.1665377   -0.9196255  0.00    0.0020720   -0.0006146   -0.0015175
 H   -4.8182627   -1.7504211   -0.6006830  0.00   -0.0027990   -0.0028498    0.0032206
 C   -6.7774263   -1.6643756   -0.5328936  0.00   -0.0105397   -0.0117246    0.0105857
 O   -6.9848174   -2.6432356    0.1343740  0.00    0.0050071   -0.0040096    0.0009751
 C   -7.9586738   -0.8350873   -1.0843105  0.00   -0.0032652   -0.0024000   -0.0008952
 F   -7.7774320    0.4781217   -0.8914032  0.00    0.0021756    0.0012372   -0.0021303
 F   -8.0937024   -1.0332689   -2.3948628  0.00   -0.0004901    0.0003239   -0.0003792
 F   -9.0973207   -1.1746499   -0.4935204  0.00    0.0033568   -0.0005934   -0.0050516
 O   -2.8416947   -0.7886606    0.9737595  0.00    0.0012194   -0.0037111   -0.0024812
 C   -2.8390485   -1.9350474    0.5059286  0.00   -0.0033710    0.0008876    0.0098565
 O   -3.6659206   -2.5074196   -0.2310893  0.00    0.0002695    0.0045545    0.0008631
 C   -1.6035158   -2.7775080    0.9092268  0.00   -0.0017073    0.0040497   -0.0041710
 F   -1.5531767   -2.9464909    2.2330336  0.00    0.0013936   -0.0002389    0.0025997
 F   -1.5912882   -3.9869793    0.3494440  0.00    0.0015623    0.0012159    0.0022230
 F   -0.4733463   -2.1549276    0.5423269  0.00   -0.0042485   -0.0061246    0.0010845
78
 Energy =   -2041.3860227259
 C    8.2213912   -1.5026692   -0.3002335  0.00   -0.0003171    0.0057517    0.0013084
 C    9.2520485   -2.4491561    0.2264488  0.00    0.0040582   -0.0002898   -0.0083057
 C   10.3268862   -1.8075075    1.0814850  0.00    0.0054427   -0.0005805    0.0001274
 C   10.7899888   -0.5289752    0.4109510  0.00    0.0042456    0.0056229    0.0026756
 C    9.6689088    0.5147985    0.2904599  0.00   -0.0057072    0.0013847   -0.0004948
 C   10.1425590    1.5995481   -0.6912960  0.00   -0.0004750   -0.0022775    0.0009466
 H    9.4868107    2.4814928   -0.7031163  0.00    0.0090437   -0.0024589    0.0008595
 H   10.2108230    1.2110192   -1.7193340  0.00   -0.0013886   -0.0001132    0.0015783
 H   11.1450739    1.9443275   -0.3946177  0.00    0.0033198   -0.0021787    0.0000557
 C    9.4099031    1.1746293    1.6579667  0.00   -0.0003815    0.0030864    0.0029212
 H    8.5955634    1.9113768    1.5947725  0.00    0.0049583    0.0057376   -0.0008208
 H   10.3169349    1.6959831    2.0033410  0.00   -0.0030923    0.0007007   -0.0016440
 H    9.1296326    0.4383294    2.4248939  0.00   -0.0023518   -0.0069329    0.0004900
 H   11.1664692   -0.7705664   -0.5990419  0.00   -0.0002583   -0.0100121   -0.0061275
 H   11.6364303   -0.0750833    0.9504921  0.00   -0.0018598   -0.0002533    0.0117760
 H    9.9340512   -1.5898486    2.0885508  0.00   -0.0011954   -0.0023316   -0.0011395
 H   11.1650943   -2.5071192    1.2215594  0.00    0.0016598    0.0027422   -0.0001713
 H    8.7351107   -3.2656154    0.7651000  0.00   -0.0032422    0.0007939    0.0039468
 H    9.7099049   -2.9607998   -0.6456108  0.00    0.0008368    0.0005350   -0.0015229
 C    7.0765009   -2.1709206   -0.9869691  0.00   -0.0025038    0.0019674    0.0008020
 H    6.5543681   -1.5123784   -1.6922223  0.00   -0.0035768   -0.0000459   -0.0006643
 H    6.3373195   -2.5463466   -0.2534650  0.00   -0.0015626   -0.0009692   -0.0067753
 H    7.4361471   -3.0625304   -1.5280507  0.00    0.0009207    0.0074594    0.0023049
 C    8.3594622   -0.1245193   -0.1959383  0.00   -0.0011808    0.0029638   -0.0023713
 C    7.3029116    0.8058713   -0.5326791  0.00   -0.0011111   -0.0073905   -0.0018445
 H    7.6244356    1.7887063   -0.8842735  0.00    0.0020329    0.0068591   -0.0018916
 C    5.9550812    0.6279435   -0.3526865  0.00    0.0022261    0.0039687    0.0073736
 H    5.6012821   -0.2978133    0.1114613  0.00   -0.0073900    0.0008838   -0.0054969
 C    4.9348242    1.5973020   -0.6786112  0.00   -0.0026449   -0.0096062   -0.0020258
 C    5.3401719    2.8900883   -1.3140557  0.00    0.0000711    0.0035048   -0.0051209
 H    4.4788715    3.4865638   -1.6376921  0.00   -0.0005051   -0.0014682    0.0000308
 H    5.9702459    2.7141653   -2.2008627  0.00   -0.0010413   -0.0007646    0.0008028
 H    5.9320762    3.5072685   -0.6160154  0.00    0.0021714   -0.0032841   -0.0049572
 C    3.6291669    1.2660624   -0.3879347  0.00   -0.0024020   -0.0001985    0.0054728
 H    3.4592913    0.2875714    0.0788531  0.00   -0.0012140    0.0024876   -0.0014213
 C    2.4551177    2.0560426   -0.6212912  0.00   -0.0000873    0.0015199   -0.0029199
 H    2.5788448    3.0373451   -1.0848661  0.00   -0.0006085    0.0015203    0.0011880
 C    1.1942231    1.6270697   -0.2935874  0.00    0.0095333   -0.0046451   -0.0024975
 H    1.0834320    0.6327615    0.1563256  0.00    0.0030254    0.0017675   -0.0031517
 C   -0.0242744    2.3678142   -0.4936947  0.00    0.0024645   -0.0017558    0.0021819
 C    0.0616523    3.7334844   -1.0964748  0.00   -0.0010174    0.0026568   -0.0032136
 H   -0.9158778    4.2169582   -1.2104457  0.00   -0.0013816   -0.0007549   -0.0007315
 H    0.5303845    3.6928868   -2.0942527  0.00   -0.0010228    0.0005085    0.0047464
 H    0.6923013    4.3956658   -0.4792912  0.00    0.0010471   -0.0000090   -0.0057286
 C   -1.2139542    1.7603666   -0.1167433  0.00    0.0025665    0.0004178   -0.0040060
 H   -1.1708577    0.7509305    0.3060312  0.00   -0.0000811    0.0014679    0.0011452
 C   -2.5054658    2.3143422   -0.2322003  0.00   -0.0005127   -0.0057953    0.0032932
 H   -2.6528480    3.3251554   -0.6278927  0.00    0.0002948    0.0014653    0.0000488
 N   -3.5981418    1.6627009    0.1136899  0.00   -0.0012243   -0.0218819   -0.0029391
 H   -3.4760524    0.6825247    0.4638772  0.00    0.0010870    0.0000789   -0.0036535
 C   -4.9341006    2.2002787    0.0483044  0.00   -0.0004435    0.0009976   -0.0040843
 H   -4.9232754    3.1059049   -0.5798629  0.00    0.0018062    0.0008465    0.0023251
 H   -5.5750462    1.4584461   -0.4539494  0.00    0.0000359   -0.0018081   -0.0046643
 C   -5.5046969    2.5164158    1.4299027  0.00    0.0008242   -0.0037728   -0.0029146
 H   -5.4818093    1.5954350    2.0379297  0.00   -0.0010111    0.0009244    0.0082832
 H   -4.8404992    3.2382654    1.9378408  0.00    0.0003731   -0.0007284   -0.0003368
 C   -6.9260185    3.0620239    1.3700866  0.00   -0.0036956    0.0001527   -0.0002910
 H   -6.9393208    3.9761424    0.7508185  0.00    0.0000287    0.0028086   -0.0015931
 H   -7.5690112    2.3372788    0.8436208  0.00    0.0014819   -0.0007080    0.0044065
 C   -7.5083316    3.3646523    2.7419533  0.00   -0.0029577   -0.0062086    0.0012420
 H   -8.5416766    3.7351923    2.6669480  0.00    0.0046976    0.0022388   -0.0003178
 H   -7.5288567    2.4628952    3.3750534  0.00   -0.0000667    0.0033545   -0.0007341
 H   -6.9166248    4.1268213    3.2744930  0.00   -0.0000892   -0.0011588   -0.0009518
 O   -5.6420340   -1.1681065   -0.9174601  0.00    0.0006041   -0.0000036   -0.0011579
 H   -4.8184227   -1.7529089   -0.5982653  0.00   -0.0010499   -0.0037398    0.0046466
 C   -6.7770261   -1.6654389   -0.5318700  0.00   -0.0088157   -0.0186460    0.0124455
 O   -6.9855278   -2.6449670    0.1342331  0.00    0.0063168   -0.0001075   -0.0001664
 C   -7.9573835   -0.8362156   -1.0842111  0.00   -0.0037075    0.0050623   -0.0017323
 F   -7.7759504    0.4774617   -0.8923605  0.00    0.0010775   -0.0043036   -0.0019143
 F   -8.0915831   -1.0354139   -2.3945095  0.00    0.0000172    0.0003034   -0.0048566
 F   -9.0964226   -1.1751335   -0.4942478  0.00    0.0010532   -0.0000832   -0.0019584
 O   -2.8389043   -0.7910429    0.9722567  0.00   -0.0006608    0.0061654    0.0026117
 C   -2.8385265   -1.9385802    0.5078843  0.00    0.0020104   -0.0023906    0.0098649
 O   -3.6667977   -2.5117130   -0.2265910  0.00   -0.0036400    0.0002272   -0.0031412
 C   -1.6032014   -2.7806018    0.9125355  0.00    0.0003624   -0.0065574   -0.0026277
 F   -1.5520261   -2.9470865    2.2367647  0.00   -0.0012990    0.0009257    0.0013471
 F   -1.5909643   -3.9915604    0.3553534  0.00   -0.0024751    0.0030747    0.0027729
 F   -0.4730504   -2.1597924    0.5440227  0.00    0.0002014   -0.0003635   -0.0010485
78
 Energy =   -2041.3860450697
 C    8.2207737   -1.5022123   -0.3005952  0.00   -0.0049618    0.0046453   -0.0002974
 C    9.2503501   -2.4487789    0.2276899  0.00    0.0038419   -0.0028727   -0.0050462
 C   10.3253802   -1.8075618    1.0829837  0.00    0.0037303    0.0009249    0.0011243
 C   10.7890365   -0.5294386    0.4119568  0.00    0.0019277    0.0052692   -0.0041731
 C    9.6677292    0.5147057    0.2911732  0.00   -0.0002542    0.0009557    0.0015415
 C   10.1425700    1.5987595   -0.6909701  0.00    0.0003773   -0.0067021    0.0030592
 H    9.4886897    2.4818341   -0.7020769  0.00    0.0071411    0.0005365    0.0005909
 H   10.2087127    1.2095200   -1.7189300  0.00   -0.0008550    0.0013644    0.0021229
 H   11.1462860    1.9409350   -0.3952467  0.00    0.0024823   -0.0010580   -0.0006602
 C    9.4092100    1.1742474    1.6593569  0.00    0.0052146    0.0032377   -0.0031912
 H    8.5956939    1.9120032    1.5967801  0.00    0.0037670    0.0035237   -0.0003818
 H   10.3172231    1.6952997    2.0033511  0.00   -0.0066603   -0.0020036   -0.0000698
 H    9.1295210    0.4370267    2.4258449  0.00   -0.0021425   -0.0025420   -0.0005425
 H   11.1653184   -0.7718336   -0.5983774  0.00   -0.0031177   -0.0083134   -0.0006309
 H   11.6359897   -0.0752114    0.9504859  0.00   -0.0032654   -0.0010308    0.0130612
 H    9.9323460   -1.5893319    2.0899917  0.00    0.0000010   -0.0029930   -0.0030369
 H   11.1630411   -2.5077599    1.2232760  0.00    0.0019373    0.0029817    0.0002195
 H    8.7317638   -3.2640998    0.7668810  0.00   -0.0008877    0.0020929    0.0025802
 H    9.7085760   -2.9618222   -0.6432807  0.00    0.0002609    0.0000736   -0.0023255
 C    7.0768286   -2.1704828   -0.9892037  0.00   -0.0014672    0.0027722   -0.0003705
 H    6.5552161   -1.5115853   -1.6944762  0.00   -0.0029335    0.0001593   -0.0017570
 H    6.3365404   -2.5469266   -0.2576732  0.00   -0.0030512   -0.0006621   -0.0022941
 H    7.4369351   -3.0620276   -1.5301151  0.00    0.0024073    0.0088698    0.0011286
 C    8.3584350   -0.1240237   -0.1960833  0.00    0.0021808   -0.0001852   -0.0009243
 C    7.3024098    0.8064800   -0.5338304  0.00    0.0006732    0.0009878   -0.0032183
 H    7.6251277    1.7891413   -0.8862453  0.00   -0.0019104    0.0007117    0.0006049
 C    5.9545835    0.6293364   -0.3530969  0.00   -0.0014955   -0.0010203    0.0084507
 H    5.6007422   -0.2965985    0.1115974  0.00   -0.0051975    0.0061837   -0.0075310
 C    4.9340029    1.5985911   -0.6791933  0.00    0.0027708   -0.0097478   -0.0009065
 C    5.3393237    2.8904374   -1.3167825  0.00   -0.0082626    0.0029081   -0.0015635
 H    4.4774125    3.4854054   -1.6423438  0.00    0.0036923   -0.0021590    0.0008995
 H    5.9696214    2.7122145   -2.2023733  0.00    0.0027891   -0.0006163   -0.0061693
 H    5.9309193    3.5095171   -0.6202747  0.00    0.0015793   -0.0030322   -0.0033237
 C    3.6285463    1.2678421   -0.3874674  0.00   -0.0006240    0.0057033    0.0008550
 H    3.4588528    0.2898212    0.0797850  0.00   -0.0026851   -0.0006571    0.0005363
 C    2.4546171    2.0580374   -0.6214624  0.00    0.0002770   -0.0022002   -0.0012007
 H    2.5782054    3.0395787   -1.0847190  0.00   -0.0008605   -0.0000103    0.0015371
 C    1.1940541    1.6277809   -0.2941934  0.00    0.0078456    0.0020319   -0.0019626
 H    1.0845605    0.6335706    0.1559406  0.00    0.0016187   -0.0000937   -0.0029588
 C   -0.0251247    2.3676741   -0.4939744  0.00    0.0032351   -0.0004628   -0.0015243
 C    0.0596780    3.7335599   -1.0976118  0.00   -0.0040215   -0.0031898    0.0083163
 H   -0.9182509    4.2161675   -1.2112919  0.00   -0.0022819   -0.0003163   -0.0007083
 H    0.5276504    3.6925079   -2.0951201  0.00    0.0030317    0.0006089   -0.0028660
 H    0.6900726    4.3964669   -0.4808345  0.00    0.0005685   -0.0008354   -0.0066100
 C   -1.2143551    1.7590679   -0.1172806  0.00    0.0061726    0.0011135   -0.0008484
 H   -1.1709887    0.7499921    0.3062459  0.00    0.0019875    0.0003168    0.0002068
 C   -2.5061139    2.3119047   -0.2324383  0.00    0.0001866    0.0002841   -0.0024618
 H   -2.6543915    3.3225439   -0.6288830  0.00    0.0009643   -0.0018857    0.0019238
 N   -3.5983084    1.6595925    0.1131925  0.00   -0.0007535   -0.0189091   -0.0042831
 H   -3.4758173    0.6798980    0.4641260  0.00    0.0006905   -0.0029472   -0.0044298
 C   -4.9336884    2.1978462    0.0471772  0.00   -0.0027995   -0.0006128   -0.0023455
 H   -4.9219519    3.1030058   -0.5814571  0.00    0.0010774    0.0022691    0.0016325
 H   -5.5756841    1.4564552   -0.4543691  0.00    0.0014856   -0.0022638   -0.0052164
 C   -5.5034803    2.5148565    1.4286431  0.00   -0.0041376   -0.0007088   -0.0013552
 H   -5.4807345    1.5939488    2.0366730  0.00   -0.0014498    0.0002792    0.0094601
 H   -4.8389202    3.2365070    1.9366258  0.00   -0.0008073   -0.0012948   -0.0020464
 C   -6.9249840    3.0606102    1.3687717  0.00   -0.0002305    0.0014748    0.0026054
 H   -6.9384450    3.9747516    0.7493768  0.00    0.0000434    0.0002937   -0.0020946
 H   -7.5678987    2.3351877    0.8432710  0.00    0.0007585    0.0001968    0.0026078
 C   -7.5069700    3.3638586    2.7407144  0.00    0.0011790   -0.0029859   -0.0033253
 H   -8.5395646    3.7359671    2.6652136  0.00    0.0015438    0.0004773    0.0008491
 H   -7.5277944    2.4618605    3.3732360  0.00   -0.0014877    0.0039915    0.0024507
 H   -6.9146456    4.1261878    3.2724712  0.00    0.0000612   -0.0036600    0.0003100
 O   -5.6409788   -1.1698416   -0.9153877  0.00   -0.0085609   -0.0009071    0.0006466
 H   -4.8187539   -1.7558182   -0.5956987  0.00    0.0001482   -0.0030151    0.0054419
 C   -6.7768932   -1.6669114   -0.5307065  0.00    0.0061119   -0.0079025   -0.0001190
 O   -6.9853986   -2.6468483    0.1341554  0.00   -0.0002611   -0.0093394    0.0081319
 C   -7.9563377   -0.8373355   -1.0844227  0.00    0.0012427    0.0031864   -0.0012163
 F   -7.7741258    0.4763770   -0.8937704  0.00   -0.0012185   -0.0044350   -0.0001979
 F   -8.0896978   -1.0375117   -2.3945417  0.00   -0.0001706   -0.0004402   -0.0075270
 F   -9.0955694   -1.1757703   -0.4950032  0.00   -0.0032983    0.0018606    0.0002326
 O   -2.8365306   -0.7930783    0.9706730  0.00   -0.0007476    0.0053459    0.0052196
 C   -2.8383496   -1.9421327    0.5100364  0.00    0.0015158    0.0010336    0.0065111
 O   -3.6682812   -2.5159883   -0.2220301  0.00   -0.0003335   -0.0023915   -0.0014488
 C   -1.6033200   -2.7839964    0.9158150  0.00   -0.0009324   -0.0059691    0.0024777
 F   -1.5515492   -2.9475414    2.2406197  0.00   -0.0020723    0.0009992   -0.0015529
 F   -1.5920126   -3.9960576    0.3614527  0.00   -0.0032153   -0.0006099    0.0011527
 F   -0.4730556   -2.1647945    0.5455749  0.00    0.0014288    0.0013043   -0.0020710
78
 Energy =   -2041.3860662358
 C    8.2200929   -1.5016950   -0.3011013  0.00   -0.0001225   -0.0004941    0.0017054
 C    9.2493601   -2.4485891    0.2288323  0.00   -0.0035947   -0.0015584   -0.0000024
 C   10.3246167   -1.8074192    1.0845715  0.00   -0.0028750    0.0014284   -0.0027231
 C   10.7886448   -0.5296392    0.4127399  0.00   -0.0060980    0.0000894   -0.0021465
 C    9.6668404    0.5145550    0.2919799  0.00    0.0080418   -0.0015224    0.0007376
 C   10.1429328    1.5976405   -0.6902751  0.00   -0.0007554   -0.0011305    0.0033840
 H    9.4909607    2.4822268   -0.7002499  0.00    0.0080916    0.0003122    0.0004207
 H   10.2066731    1.2086703   -1.7183790  0.00   -0.0004109    0.0006094    0.0006816
 H   11.1479981    1.9370707   -0.3957709  0.00    0.0011122   -0.0000898   -0.0010449
 C    9.4090585    1.1739991    1.6603892  0.00   -0.0017823   -0.0026115   -0.0027102
 H    8.5961797    1.9127921    1.5983436  0.00    0.0041925   -0.0007221    0.0003136
 H   10.3172698    1.6946839    2.0034397  0.00   -0.0022809   -0.0009257    0.0025945
 H    9.1298339    0.4357169    2.4267990  0.00   -0.0010641    0.0059464   -0.0056790
 H   11.1637220   -0.7736350   -0.5977376  0.00   -0.0022792   -0.0055667    0.0007116
 H   11.6359348   -0.0753797    0.9507143  0.00   -0.0036330   -0.0006810    0.0120203
 H    9.9310395   -1.5893321    2.0914003  0.00    0.0009747   -0.0014161   -0.0032867
 H   11.1617751   -2.5078758    1.2252469  0.00    0.0039965    0.0011907    0.0001303
 H    8.7287261   -3.2624728    0.7690469  0.00    0.0037389    0.0051655   -0.0006432
 H    9.7078090   -2.9631868   -0.6409383  0.00   -0.0002079   -0.0005383   -0.0035893
 C    7.0772106   -2.1700254   -0.9915273  0.00   -0.0048806    0.0016610   -0.0007449
 H    6.5556656   -1.5112088   -1.6972005  0.00    0.0003618   -0.0007806   -0.0007494
 H    6.3354061   -2.5477973   -0.2620685  0.00   -0.0006064    0.0011791   -0.0004541
 H    7.4384750   -3.0614827   -1.5318772  0.00    0.0025411    0.0102254   -0.0004830
 C    8.3578248   -0.1236099   -0.1963817  0.00    0.0011993   -0.0001291    0.0004328
 C    7.3022242    0.8071399   -0.5351708  0.00   -0.0017738    0.0032675    0.0002382
 H    7.6256865    1.7895958   -0.8880711  0.00   -0.0038022   -0.0017760    0.0013145
 C    5.9542646    0.6307505   -0.3530826  0.00    0.0008265   -0.0025043    0.0030677
 H    5.6002007   -0.2952079    0.1116352  0.00   -0.0037137    0.0075368   -0.0067493
 C    4.9335516    1.5996259   -0.6799813  0.00    0.0033673   -0.0019924    0.0013507
 C    5.3383133    2.8911133   -1.3196231  0.00   -0.0004341   -0.0116078   -0.0048000
 H    4.4761201    3.4839725   -1.6469943  0.00    0.0002924    0.0024968   -0.0009695
 H    5.9696377    2.7105936   -2.2043224  0.00   -0.0011267    0.0012810   -0.0048207
 H    5.9300418    3.5118426   -0.6250460  0.00    0.0008418   -0.0011906    0.0007138
 C    3.6280380    1.2700182   -0.3869704  0.00    0.0019739    0.0016115   -0.0019002
 H    3.4576173    0.2922526    0.0807506  0.00   -0.0011865    0.0004901    0.0007577
 C    2.4541741    2.0599525   -0.6217372  0.00    0.0022187   -0.0010282   -0.0001917
 H    2.5773083    3.0417850   -1.0843244  0.00   -0.0003406    0.0006752    0.0002809
 C    1.1940145    1.6286724   -0.2949088  0.00    0.0038841    0.0048591    0.0001321
 H    1.0857905    0.6345501    0.1554556  0.00    0.0000268   -0.0019248   -0.0027807
 C   -0.0258681    2.3676146   -0.4943480  0.00    0.0033965   -0.0005933   -0.0035822
 C    0.0574655    3.7335457   -1.0983385  0.00   -0.0033753   -0.0041572    0.0053604
 H   -0.9209104    4.2152186   -1.2122052  0.00   -0.0023941   -0.0003386    0.0006440
 H    0.5249048    3.6928318   -2.0961823  0.00    0.0031478   -0.0005103   -0.0020731
 H    0.6876903    4.3974274   -0.4825337  0.00    0.0003949   -0.0008538   -0.0050792
 C   -1.2145852    1.7578241   -0.1178701  0.00    0.0071674    0.0007637    0.0021294
 H   -1.1704181    0.7491165    0.3064261  0.00    0.0024935   -0.0006125   -0.0008315
 C   -2.5067582    2.3094837   -0.2329758  0.00   -0.0002391   -0.0021607   -0.0039503
 H   -2.6555071    3.3197439   -0.6298959  0.00   -0.0000108   -0.0000195    0.0017878
 N   -3.5987272    1.6563585    0.1121252  0.00    0.0041991   -0.0122118   -0.0057718
 H   -3.4754804    0.6770940    0.4635870  0.00   -0.0010231   -0.0060589   -0.0043348
 C   -4.9336995    2.1954167    0.0458591  0.00   -0.0034276   -0.0030111   -0.0009432
 H   -4.9208493    3.1003791   -0.5831460  0.00   -0.0005954    0.0010019    0.0021758
 H   -5.5763936    1.4540753   -0.4549805  0.00    0.0023915   -0.0007307   -0.0057461
 C   -5.5029389    2.5132565    1.4273403  0.00   -0.0027964    0.0004399    0.0003895
 H   -5.4804389    1.5925601    2.0356988  0.00   -0.0017852   -0.0002692    0.0090308
 H   -4.8376747    3.2344088    1.9353506  0.00   -0.0022478   -0.0012084   -0.0037379
 C   -6.9242734    3.0593406    1.3675843  0.00    0.0011620    0.0027303    0.0023393
 H   -6.9379002    3.9734536    0.7479154  0.00   -0.0001559   -0.0026927   -0.0021005
 H   -7.5670484    2.3331441    0.8432456  0.00   -0.0010384    0.0008876   -0.0002380
 C   -7.5058543    3.3631698    2.7393505  0.00    0.0031457   -0.0005993   -0.0007196
 H   -8.5377692    3.7366828    2.6641502  0.00   -0.0017461    0.0007755   -0.0003926
 H   -7.5279741    2.4611829    3.3718076  0.00   -0.0003219    0.0045511    0.0034729
 H   -6.9127519    4.1253426    3.2706076  0.00    0.0000102   -0.0057695    0.0013535
 O   -5.6404779   -1.1718485   -0.9132688  0.00   -0.0031206   -0.0011285    0.0014323
 H   -4.8191836   -1.7589002   -0.5929591  0.00   -0.0000895   -0.0013758    0.0053609
 C   -6.7767692   -1.6686170   -0.5295774  0.00    0.0040135   -0.0044084   -0.0074342
 O   -6.9857564   -2.6489855    0.1342337  0.00   -0.0035419   -0.0124957    0.0120084
 C   -7.9555167   -0.8384694   -1.0847718  0.00    0.0010183   -0.0080019   -0.0010556
 F   -7.7730230    0.4748187   -0.8950544  0.00   -0.0003939    0.0032799    0.0009620
 F   -8.0881529   -1.0396765   -2.3949867  0.00    0.0002417   -0.0003625   -0.0045279
 F   -9.0952019   -1.1763865   -0.4957352  0.00   -0.0036158    0.0026882   -0.0006351
 O   -2.8345523   -0.7951755    0.9697753  0.00   -0.0004761   -0.0063187    0.0021861
 C   -2.8381305   -1.9458998    0.5124173  0.00   -0.0039840    0.0113790    0.0037833
 O   -3.6697040   -2.5205987   -0.2174735  0.00    0.0047726    0.0004548    0.0030238
 C   -1.6036154   -2.7879056    0.9192689  0.00   -0.0047765    0.0048783    0.0038024
 F   -1.5517663   -2.9480223    2.2444987  0.00    0.0005902   -0.0005863   -0.0019963
 F   -1.5943269   -4.0009435    0.3678060  0.00    0.0008011   -0.0044286   -0.0003891
 F   -0.4730740   -2.1698649    0.5470383  0.00   -0.0021175   -0.0051189   -0.0007183
78
 Energy =   -2041.3860864788
 C    8.2194062   -1.5011036   -0.3014008  0.00    0.0031365   -0.0094623    0.0024579
 C    9.2482166   -2.4485139    0.2299828  0.00   -0.0045583    0.0067149   -0.0012253
 C   10.3236755   -1.8073466    1.0858128  0.00   -0.0039817   -0.0004634   -0.0054512
 C   10.7879199   -0.5299283    0.4133870  0.00   -0.0061577   -0.0039364    0.0027546
 C    9.6663977    0.5143425    0.2927769  0.00    0.0068352   -0.0011050   -0.0009851
 C   10.1433126    1.5965284   -0.6895669  0.00   -0.0002453    0.0077572    0.0039030
 H    9.4932490    2.4826950   -0.6986618  0.00    0.0084701   -0.0014719    0.0008378
 H   10.2049592    1.2080464   -1.7177546  0.00   -0.0001292   -0.0013124   -0.0024082
 H   11.1495630    1.9339013   -0.3964472  0.00   -0.0001265   -0.0001945   -0.0009084
 C    9.4089553    1.1736007    1.6612759  0.00   -0.0063991   -0.0047755    0.0000829
 H    8.5966622    1.9133867    1.5999160  0.00    0.0050071   -0.0046330    0.0001221
 H   10.3171586    1.6937243    2.0046456  0.00    0.0010928   -0.0001112    0.0024850
 H    9.1300264    0.4345884    2.4275147  0.00   -0.0016240    0.0104991   -0.0087354
 H   11.1617788   -0.7754136   -0.5970910  0.00   -0.0001996   -0.0032362   -0.0001602
 H   11.6356050   -0.0755671    0.9510512  0.00   -0.0055128   -0.0023125    0.0091389
 H    9.9301185   -1.5894900    2.0924804  0.00   -0.0000041    0.0005565   -0.0006466
 H   11.1606756   -2.5079426    1.2267995  0.00    0.0038666    0.0008913   -0.0006882
 H    8.7264757   -3.2606979    0.7710231  0.00    0.0018649    0.0006377    0.0010288
 H    9.7068947   -2.9644593   -0.6387787  0.00   -0.0011374   -0.0006412   -0.0044141
 C    7.0776158   -2.1696401   -0.9938013  0.00   -0.0045399    0.0006225    0.0004035
 H    6.5565791   -1.5105568   -1.6996281  0.00    0.0014943   -0.0011432   -0.0018052
 H    6.3343630   -2.5485241   -0.2662892  0.00    0.0014422    0.0022135    0.0007787
 H    7.4403869   -3.0609001   -1.5338013  0.00    0.0012116    0.0131904   -0.0006995
 C    8.3573376   -0.1232111   -0.1965943  0.00    0.0002232    0.0023209    0.0017141
 C    7.3019563    0.8076754   -0.5363583  0.00   -0.0011048    0.0032661    0.0038139
 H    7.6254706    1.7899235   -0.8896590  0.00   -0.0027041   -0.0009195    0.0008001
 C    5.9540192    0.6319908   -0.3531088  0.00    0.0008766   -0.0021128   -0.0014140
 H    5.5997472   -0.2937402    0.1115552  0.00   -0.0038602    0.0052788   -0.0043119
 C    4.9332966    1.6006787   -0.6805658  0.00    0.0010715   -0.0017819    0.0024023
 C    5.3373003    2.8910228   -1.3224445  0.00    0.0052000   -0.0038833   -0.0071861
 H    4.4749070    3.4830313   -1.6514664  0.00    0.0024020    0.0002213    0.0003025
 H    5.9693628    2.7095394   -2.2066000  0.00   -0.0033266    0.0003215   -0.0037694
 H    5.9290524    3.5139382   -0.6294477  0.00   -0.0021796   -0.0036834    0.0000527
 C    3.6276706    1.2722134   -0.3865678  0.00    0.0030597   -0.0048089   -0.0021460
 H    3.4561742    0.2947236    0.0816866  0.00    0.0014100    0.0023574    0.0006168
 C    2.4538752    2.0617957   -0.6219737  0.00    0.0038888    0.0035307   -0.0005541
 H    2.5764738    3.0439378   -1.0839767  0.00    0.0004581    0.0008743   -0.0006305
 C    1.1940526    1.6298040   -0.2955264  0.00    0.0000071    0.0001456    0.0030975
 H    1.0868659    0.6353895    0.1547591  0.00   -0.0008599    0.0000128   -0.0035562
 C   -0.0265061    2.3675555   -0.4949263  0.00    0.0013884   -0.0017890   -0.0018719
 C    0.0552897    3.7332535   -1.0988907  0.00   -0.0001616    0.0005947   -0.0053951
 H   -0.9234870    4.2142933   -1.2129168  0.00   -0.0012079   -0.0013764    0.0016326
 H    0.5225819    3.6928541   -2.0972814  0.00    0.0002334   -0.0008554    0.0032826
 H    0.6854818    4.3981625   -0.4842244  0.00    0.0001404   -0.0011802   -0.0032629
 C   -1.2147476    1.7568189   -0.1184065  0.00    0.0075775   -0.0015424    0.0039545
 H   -1.1694018    0.7483777    0.3065217  0.00    0.0017488   -0.0005033   -0.0019502
 C   -2.5075459    2.3070883   -0.2336975  0.00    0.0069749   -0.0015070   -0.0058774
 H   -2.6569682    3.3171947   -0.6305836  0.00   -0.0002917    0.0009799    0.0013768
 N   -3.5989925    1.6530506    0.1105298  0.00   -0.0044220   -0.0108486   -0.0016409
 H   -3.4754427    0.6740475    0.4628665  0.00   -0.0011848   -0.0053378   -0.0059678
 C   -4.9340561    2.1930340    0.0445974  0.00    0.0048916   -0.0024117   -0.0005443
 H   -4.9198762    3.0979985   -0.5846684  0.00   -0.0027581   -0.0016655    0.0034164
 H   -5.5769362    1.4518680   -0.4558599  0.00    0.0000724   -0.0012415   -0.0069490
 C   -5.5026983    2.5118046    1.4261297  0.00    0.0009684   -0.0032907    0.0004361
 H   -5.4805855    1.5912209    2.0348025  0.00   -0.0016753    0.0004912    0.0084204
 H   -4.8370346    3.2325882    1.9339986  0.00   -0.0011674   -0.0002868   -0.0040922
 C   -6.9235478    3.0582271    1.3665911  0.00   -0.0014978    0.0006575   -0.0008082
 H   -6.9375353    3.9720832    0.7464693  0.00   -0.0000233   -0.0038420   -0.0020158
 H   -7.5664208    2.3313707    0.8433141  0.00   -0.0017413    0.0021463   -0.0019708
 C   -7.5045846    3.3624916    2.7380346  0.00   -0.0021592   -0.0003262    0.0054622
 H   -8.5359322    3.7375895    2.6629849  0.00   -0.0023966    0.0003841   -0.0012193
 H   -7.5284860    2.4607958    3.3711538  0.00    0.0012948    0.0062475    0.0008221
 H   -6.9109901    4.1241393    3.2691150  0.00    0.0025029   -0.0042061    0.0033442
 O   -5.6401931   -1.1737472   -0.9111374  0.00    0.0059701   -0.0030088    0.0024976
 H   -4.8197262   -1.7617827   -0.5903158  0.00    0.0003223   -0.0001889    0.0053798
 C   -6.7766640   -1.6703009   -0.5285859  0.00   -0.0081637   -0.0156359   -0.0023436
 O   -6.9867760   -2.6512878    0.1345116  0.00   -0.0003334   -0.0006445    0.0049753
 C   -7.9548345   -0.8398520   -1.0851316  0.00   -0.0029774   -0.0073750    0.0006802
 F   -7.7723293    0.4736173   -0.8959743  0.00    0.0012377    0.0009620   -0.0007994
 F   -8.0866282   -1.0419549   -2.3954511  0.00    0.0006705    0.0005498    0.0000423
 F   -9.0952679   -1.1766621   -0.4965008  0.00    0.0000287    0.0016010   -0.0032059
 O   -2.8327621   -0.7975836    0.9694346  0.00   -0.0012784   -0.0079983    0.0013482
 C   -2.8378958   -1.9494793    0.5148211  0.00   -0.0050645    0.0140876    0.0026053
 O   -3.6706162   -2.5250954   -0.2130573  0.00    0.0023738    0.0027535    0.0023925
 C   -1.6039786   -2.7915204    0.9227537  0.00   -0.0035939    0.0048089   -0.0014571
 F   -1.5517405   -2.9485303    2.2480505  0.00    0.0019836   -0.0018738    0.0026479
 F   -1.5961034   -4.0059416    0.3739181  0.00    0.0014438   -0.0019740    0.0008660
 F   -0.4731078   -2.1751163    0.5483923  0.00   -0.0037975   -0.0074673   -0.0000718
78
 Energy =   -2041.3861044139
 C    8.2188210   -1.5009671   -0.3014710  0.00    0.0003073    0.0010591    0.0006576
 C    9.2467944   -2.4481441    0.2310650  0.00    0.0009050    0.0041660   -0.0035669
 C   10.3224176   -1.8074317    1.0867218  0.00   -0.0000039   -0.0012873   -0.0028165
 C   10.7867110   -0.5304229    0.4141065  0.00    0.0017973   -0.0043559    0.0035962
 C    9.6661442    0.5141144    0.2935417  0.00   -0.0008762    0.0017514   -0.0017060
 C   10.1436939    1.5957332   -0.6888335  0.00    0.0002352    0.0053268   -0.0011581
 H    9.4956967    2.4831598   -0.6969481  0.00    0.0053139    0.0007574    0.0010519
 H   10.2029815    1.2070962   -1.7172785  0.00    0.0000885    0.0002322   -0.0002403
 H   11.1510007    1.9308687   -0.3973984  0.00    0.0023010    0.0007009    0.0002602
 C    9.4086478    1.1729771    1.6622239  0.00   -0.0009981   -0.0003329    0.0001001
 H    8.5972063    1.9137343    1.6015571  0.00    0.0036530   -0.0060413   -0.0007227
 H   10.3170911    1.6924521    2.0066424  0.00   -0.0005112   -0.0019317   -0.0001175
 H    9.1297866    0.4335910    2.4277891  0.00   -0.0042858    0.0087060   -0.0060637
 H   11.1598087   -0.7771727   -0.5964162  0.00    0.0008866   -0.0006136    0.0006565
 H   11.6347235   -0.0757507    0.9515335  0.00   -0.0075663   -0.0054103    0.0061336
 H    9.9291824   -1.5895951    2.0933771  0.00   -0.0008861    0.0011331    0.0012911
 H   11.1598231   -2.5078575    1.2278009  0.00    0.0001026    0.0016985   -0.0017743
 H    8.7246035   -3.2589059    0.7729907  0.00   -0.0015605   -0.0050456    0.0027727
 H    9.7056460   -2.9654958   -0.6369397  0.00   -0.0028725    0.0001265   -0.0031221
 C    7.0780711   -2.1692994   -0.9960102  0.00    0.0002963   -0.0013239    0.0006421
 H    6.5579062   -1.5097520   -1.7018342  0.00    0.0011144   -0.0001571   -0.0041559
 H    6.3336715   -2.5490748   -0.2704094  0.00    0.0004261    0.0013253    0.0035344
 H    7.4425328   -3.0601743   -1.5358974  0.00   -0.0011234    0.0159631   -0.0004421
 C    8.3568459   -0.1227386   -0.1965719  0.00   -0.0020755   -0.0018494    0.0008322
 C    7.3015729    0.8084203   -0.5372773  0.00   -0.0007271   -0.0053899    0.0086833
 H    7.6246147    1.7901833   -0.8910960  0.00    0.0014036    0.0051260   -0.0013026
 C    5.9537227    0.6331091   -0.3532104  0.00    0.0024072   -0.0002625   -0.0045260
 H    5.5991770   -0.2922080    0.1113607  0.00   -0.0043862    0.0005466   -0.0010189
 C    4.9330446    1.6016556   -0.6809532  0.00   -0.0013716   -0.0016586    0.0002766
 C    5.3363867    2.8906602   -1.3253746  0.00    0.0063930    0.0038635   -0.0066240
 H    4.4737584    3.4819132   -1.6555521  0.00    0.0033774   -0.0014487    0.0011944
 H    5.9683601    2.7082697   -2.2093236  0.00   -0.0025035   -0.0012366   -0.0042930
 H    5.9279385    3.5155888   -0.6338269  0.00   -0.0027967   -0.0049714   -0.0006654
 C    3.6273875    1.2742020   -0.3862309  0.00    0.0037815   -0.0047242   -0.0035456
 H    3.4550777    0.2972542    0.0826064  0.00    0.0022367    0.0006843    0.0019834
 C    2.4537680    2.0638645   -0.6222020  0.00    0.0018907    0.0030397    0.0011547
 H    2.5758459    3.0462564   -1.0837001  0.00    0.0014601    0.0012429   -0.0013154
 C    1.1941693    1.6310152   -0.2960293  0.00   -0.0000991   -0.0039073    0.0034769
 H    1.0879178    0.6360618    0.1537139  0.00   -0.0011169    0.0028890   -0.0040154
 C   -0.0270827    2.3673929   -0.4956310  0.00   -0.0004178   -0.0008231    0.0007734
 C    0.0530693    3.7329250   -1.0996316  0.00    0.0032119    0.0021785   -0.0101121
 H   -0.9261286    4.2132370   -1.2133408  0.00   -0.0004010   -0.0017034    0.0011661
 H    0.5204406    3.6923054   -2.0981120  0.00   -0.0019361    0.0001065    0.0039153
 H    0.6833667    4.3985436   -0.4859397  0.00   -0.0000761   -0.0008210   -0.0015816
 C   -1.2147652    1.7558145   -0.1188599  0.00    0.0054610   -0.0027084    0.0036637
 H   -1.1681070    0.7476568    0.3065068  0.00    0.0004520   -0.0015338   -0.0021800
 C   -2.5082384    2.3046611   -0.2346230  0.00    0.0083877   -0.0052012   -0.0037398
 H   -2.6587005    3.3148214   -0.6309623  0.00    0.0003623    0.0007965    0.0007595
 N   -3.5994275    1.6495178    0.1087680  0.00   -0.0006002   -0.0065742    0.0002563
 H   -3.4757101    0.6706642    0.4618607  0.00   -0.0010421   -0.0034325   -0.0076688
 C   -4.9340361    2.1906450    0.0433618  0.00    0.0024073   -0.0056306   -0.0004217
 H   -4.9191910    3.0955834   -0.5859343  0.00   -0.0029524   -0.0021311    0.0031808
 H   -5.5773376    1.4497231   -0.4570683  0.00   -0.0006085    0.0006249   -0.0056955
 C   -5.5023779    2.5102546    1.4249585  0.00    0.0026770   -0.0055228   -0.0009800
 H   -5.4810407    1.5898994    2.0340228  0.00   -0.0004435    0.0006867    0.0082577
 H   -4.8367217    3.2310583    1.9325749  0.00    0.0012166   -0.0000657   -0.0036672
 C   -6.9227683    3.0571594    1.3656068  0.00   -0.0046743   -0.0030485   -0.0015352
 H   -6.9371927    3.9705816    0.7448490  0.00    0.0003658   -0.0036691   -0.0011686
 H   -7.5658568    2.3298506    0.8432295  0.00   -0.0023222    0.0027455   -0.0030186
 C   -7.5033850    3.3617351    2.7370544  0.00   -0.0047531    0.0034230    0.0034968
 H   -8.5339880    3.7386961    2.6613787  0.00   -0.0034353   -0.0009513    0.0001340
 H   -7.5284506    2.4607776    3.3709559  0.00    0.0006541    0.0033415   -0.0003693
 H   -6.9092584    4.1226364    3.2680013  0.00    0.0056866   -0.0002671    0.0052786
 O   -5.6397735   -1.1758765   -0.9088394  0.00    0.0045023   -0.0034262    0.0023040
 H   -4.8202861   -1.7646421   -0.5876908  0.00    0.0018652   -0.0009605    0.0066234
 C   -6.7768250   -1.6722380   -0.5276335  0.00   -0.0108456   -0.0235171    0.0024384
 O   -6.9877556   -2.6536717    0.1349595  0.00    0.0004652    0.0088248   -0.0011233
 C   -7.9543607   -0.8415211   -1.0855078  0.00   -0.0032104   -0.0003296    0.0004530
 F   -7.7715224    0.4723190   -0.8971969  0.00    0.0028161   -0.0037880   -0.0014217
 F   -8.0850900   -1.0442836   -2.3959122  0.00    0.0002200   -0.0003960    0.0031426
 F   -9.0955444   -1.1766649   -0.4973918  0.00    0.0018279   -0.0012809   -0.0045221
 O   -2.8313825   -0.8001968    0.9693936  0.00   -0.0021299    0.0032354    0.0048480
 C   -2.8379617   -1.9527624    0.5172912  0.00   -0.0010924    0.0060475    0.0019669
 O   -3.6714644   -2.5293073   -0.2086471  0.00   -0.0038400    0.0017175   -0.0022590
 C   -1.6045619   -2.7948680    0.9261770  0.00    0.0007043   -0.0046898   -0.0040865
 F   -1.5512462   -2.9492021    2.2516454  0.00    0.0008035   -0.0014190    0.0046666
 F   -1.5977224   -4.0109026    0.3799331  0.00   -0.0013988    0.0028567    0.0029946
 F   -0.4733427   -2.1808121    0.5495718  0.00   -0.0023084   -0.0041586   -0.0009805
78
 Energy =   -2041.3861261448
 C    8.2182849   -1.5007398   -0.3015504  0.00   -0.0040249    0.0087403   -0.0013724
 C    9.2454901   -2.4475592    0.2319790  0.00    0.0029466   -0.0068208   -0.0011400
 C   10.3213291   -1.8074908    1.0875396  0.00    0.0010397   -0.0004798    0.0023131
 C   10.7856498   -0.5310196    0.4149249  0.00    0.0039567   -0.0019333   -0.0014225
 C    9.6657917    0.5139725    0.2942267  0.00   -0.0037070    0.0006267   -0.0026549
 C   10.1441326    1.5951176   -0.6880548  0.00    0.0033826   -0.0001246   -0.0041343
 H    9.4984063    2.4837066   -0.6941968  0.00    0.0004638    0.0058378   -0.0004756
 H   10.2007908    1.2064298   -1.7167970  0.00    0.0000199    0.0026903    0.0016544
 H   11.1527132    1.9277837   -0.3983376  0.00    0.0028817    0.0007043    0.0008981
 C    9.4083305    1.1723459    1.6630030  0.00    0.0059388    0.0029394   -0.0013341
 H    8.5979669    1.9139040    1.6027224  0.00   -0.0006608   -0.0040054   -0.0013678
 H   10.3170310    1.6910791    2.0084035  0.00   -0.0018050   -0.0037196   -0.0017602
 H    9.1289804    0.4326734    2.4275702  0.00   -0.0065445    0.0055840   -0.0012250
 H   11.1581065   -0.7791291   -0.5957356  0.00    0.0015053    0.0030379    0.0035469
 H   11.6334845   -0.0759781    0.9522215  0.00   -0.0054378   -0.0066345    0.0050844
 H    9.9281321   -1.5896039    2.0943396  0.00    0.0005577    0.0001101   -0.0001761
 H   11.1594857   -2.5072562    1.2281990  0.00   -0.0036532    0.0001470   -0.0013103
 H    8.7228756   -3.2573987    0.7752382  0.00   -0.0015479   -0.0041915   -0.0002462
 H    9.7041290   -2.9664420   -0.6353966  0.00   -0.0038752    0.0009276   -0.0015260
 C    7.0785387   -2.1689482   -0.9981567  0.00    0.0039355    0.0003832   -0.0000192
 H    6.5591761   -1.5092981   -1.7044481  0.00    0.0016293    0.0007645   -0.0042859
 H    6.3330704   -2.5495711   -0.2744679  0.00   -0.0012291    0.0001945    0.0066804
 H    7.4446827   -3.0591536   -1.5378976  0.00   -0.0020030    0.0150656   -0.0013709
 C    8.3562828   -0.1223464   -0.1964456  0.00   -0.0013621   -0.0031842    0.0014394
 C    7.3012330    0.8090794   -0.5375096  0.00    0.0029196   -0.0034422    0.0059433
 H    7.6240068    1.7906522   -0.8925722  0.00    0.0028375    0.0032299    0.0005131
 C    5.9535363    0.6342065   -0.3533507  0.00   -0.0012788   -0.0009399   -0.0047790
 H    5.5983483   -0.2906662    0.1111160  0.00   -0.0037576   -0.0034622    0.0016693
 C    4.9327817    1.6024642   -0.6814179  0.00    0.0001016    0.0020416   -0.0036499
 C    5.3357270    2.8903559   -1.3284558  0.00    0.0021751    0.0029786   -0.0050286
 H    4.4727133    3.4806138   -1.6593078  0.00    0.0028706   -0.0010764    0.0009455
 H    5.9668277    2.7064290   -2.2124880  0.00    0.0001651   -0.0016246   -0.0056594
 H    5.9269491    3.5168675   -0.6383738  0.00   -0.0000504   -0.0035397    0.0005532
 C    3.6272292    1.2758938   -0.3859239  0.00    0.0028574    0.0016962   -0.0068717
 H    3.4546106    0.2996408    0.0835527  0.00    0.0010665   -0.0033708    0.0043023
 C    2.4537897    2.0660923   -0.6223619  0.00   -0.0007524   -0.0019041    0.0039793
 H    2.5755422    3.0488020   -1.0834667  0.00    0.0018667   -0.0005998   -0.0006328
 C    1.1943550    1.6320868   -0.2964967  0.00    0.0026349    0.0010627   -0.0002570
 H    1.0888927    0.6368416    0.1523734  0.00   -0.0011636    0.0008703   -0.0020993
 C   -0.0276015    2.3671921   -0.4963081  0.00    0.0009112    0.0013989    0.0014252
 C    0.0508502    3.7327256   -1.1007205  0.00    0.0038762   -0.0013569   -0.0027297
 H   -0.9289421    4.2118743   -1.2135776  0.00   -0.0000787   -0.0005348   -0.0004173
 H    0.5182115    3.6918365   -2.0987012  0.00   -0.0010566    0.0008269   -0.0035974
 H    0.6812412    4.3987934   -0.4877130  0.00   -0.0006149    0.0002006   -0.0002648
 C   -1.2145084    1.7545757   -0.1192033  0.00    0.0014686   -0.0032568    0.0017671
 H   -1.1665441    0.7466270    0.3063778  0.00   -0.0007959   -0.0024351   -0.0019234
 C   -2.5085854    2.3020161   -0.2357451  0.00    0.0044453   -0.0094860    0.0009799
 H   -2.6599775    3.3124562   -0.6312142  0.00    0.0011370   -0.0008724    0.0005325
 N   -3.5997649    1.6458614    0.1068817  0.00    0.0066012    0.0020861   -0.0020876
 H   -3.4762492    0.6669154    0.4598434  0.00   -0.0001302   -0.0028336   -0.0071002
 C   -4.9338460    2.1881676    0.0420791  0.00   -0.0030570   -0.0115474    0.0006060
 H   -4.9191210    3.0930689   -0.5870098  0.00   -0.0010100   -0.0003874    0.0016853
 H   -5.5776235    1.4476594   -0.4585470  0.00   -0.0008756    0.0018398   -0.0037723
 C   -5.5019189    2.5083774    1.4237414  0.00    0.0001826   -0.0019499   -0.0004156
 H   -5.4817314    1.5886382    2.0335864  0.00    0.0017497   -0.0011790    0.0079034
 H   -4.8361980    3.2294110    1.9310732  0.00    0.0017439   -0.0014773   -0.0041732
 C   -6.9222121    3.0559846    1.3645489  0.00   -0.0028863   -0.0031686    0.0008181
 H   -6.9367646    3.9690219    0.7430501  0.00    0.0005477   -0.0043871    0.0009381
 H   -7.5653996    2.3285324    0.8428286  0.00   -0.0044241    0.0012400   -0.0043316
 C   -7.5026097    3.3610899    2.7362689  0.00    0.0018857    0.0086379   -0.0005593
 H   -8.5323674    3.7396689    2.6599871  0.00   -0.0066683   -0.0010308    0.0015805
 H   -7.5282682    2.4610282    3.3709595  0.00   -0.0012394   -0.0019074   -0.0007554
 H   -6.9074777    4.1210866    3.2674604  0.00    0.0053453    0.0012788    0.0034884
 O   -5.6392993   -1.1786115   -0.9063305  0.00   -0.0046403   -0.0009204   -0.0001798
 H   -4.8205186   -1.7676876   -0.5849412  0.00    0.0020595   -0.0030064    0.0087088
 C   -6.7773203   -1.6746915   -0.5266796  0.00   -0.0020104   -0.0153553   -0.0024774
 O   -6.9887400   -2.6559993    0.1355251  0.00   -0.0046541    0.0020657    0.0030720
 C   -7.9540439   -0.8433463   -1.0859877  0.00    0.0034847    0.0022923   -0.0012252
 F   -7.7697393    0.4705450   -0.8987854  0.00    0.0012169   -0.0051458    0.0001901
 F   -8.0837943   -1.0466334   -2.3964359  0.00   -0.0009413   -0.0022995    0.0041443
 F   -9.0958603   -1.1768006   -0.4984169  0.00    0.0012178   -0.0019903   -0.0043869
 O   -2.8307727   -0.8025265    0.9697832  0.00   -0.0012419    0.0071420    0.0056159
 C   -2.8384174   -1.9557929    0.5198364  0.00    0.0016419    0.0018041    0.0049767
 O   -3.6727454   -2.5331555   -0.2043246  0.00   -0.0050237   -0.0000313   -0.0053839
 C   -1.6054209   -2.7983627    0.9294466  0.00   -0.0001937   -0.0096851    0.0045478
 F   -1.5505683   -2.9502718    2.2555835  0.00   -0.0017278    0.0010043   -0.0019424
 F   -1.6003319   -4.0156342    0.3860504  0.00   -0.0039107    0.0007879    0.0015938
 F   -0.4740059   -2.1870494    0.5505188  0.00    0.0028593    0.0016074   -0.0030323
78
 Energy =   -2041.3861501724
 C    8.2175237   -1.5001820   -0.3018398  0.00   -0.0006605    0.0022751    0.0016942
 C    9.2444114   -2.4473081    0.2327903  0.00   -0.0033553   -0.0084469    0.0064250
 C   10.3206201   -1.8074366    1.0884554  0.00   -0.0037579   -0.0009675   -0.0000573
 C   10.7850588   -0.5315606    0.4156494  0.00   -0.0028245   -0.0009562   -0.0077005
 C    9.6653508    0.5137974    0.2946064  0.00    0.0021925   -0.0015399   -0.0010515
 C   10.1448635    1.5946305   -0.6872921  0.00    0.0030727    0.0018006   -0.0038501
 H    9.5011768    2.4846526   -0.6915458  0.00   -0.0006666    0.0065386   -0.0012030
 H   10.1990224    1.2067496   -1.7163276  0.00    0.0002883    0.0021535   -0.0005990
 H   11.1547627    1.9249249   -0.3990935  0.00    0.0012102   -0.0001936    0.0015037
 C    9.4082125    1.1718789    1.6635024  0.00    0.0030757   -0.0009775   -0.0042712
 H    8.5988167    1.9140602    1.6028582  0.00   -0.0044096   -0.0011313   -0.0008903
 H   10.3168250    1.6896218    2.0096502  0.00    0.0025938   -0.0023613   -0.0004637
 H    9.1274580    0.4318544    2.4270762  0.00   -0.0064718    0.0057264    0.0009989
 H   11.1568969   -0.7812561   -0.5950675  0.00    0.0024853    0.0071087    0.0064929
 H   11.6322687   -0.0763111    0.9530854  0.00   -0.0000024   -0.0053374    0.0052967
 H    9.9276152   -1.5897033    2.0953775  0.00    0.0012985   -0.0004633   -0.0003889
 H   11.1592784   -2.5064447    1.2280870  0.00   -0.0031287   -0.0046229    0.0008935
 H    8.7211960   -3.2563672    0.7775239  0.00    0.0002375    0.0003210   -0.0048915
 H    9.7022048   -2.9674488   -0.6339358  0.00   -0.0012201   -0.0006518   -0.0037574
 C    7.0788831   -2.1684433   -1.0002506  0.00    0.0008661    0.0036483   -0.0010638
 H    6.5602919   -1.5092612   -1.7077689  0.00    0.0028969    0.0017081   -0.0013633
 H    6.3320633   -2.5500198   -0.2783964  0.00    0.0001314    0.0008725    0.0070053
 H    7.4464875   -3.0577710   -1.5399065  0.00   -0.0008443    0.0107152   -0.0026784
 C    8.3557404   -0.1220569   -0.1962334  0.00    0.0005525    0.0008313    0.0018531
 C    7.3011588    0.8096971   -0.5371188  0.00    0.0018747    0.0058483   -0.0018577
 H    7.6239788    1.7913197   -0.8936714  0.00    0.0016871   -0.0042277    0.0050932
 C    5.9533310    0.6352083   -0.3535975  0.00   -0.0015311   -0.0016800   -0.0035878
 H    5.5973261   -0.2892245    0.1109087  0.00   -0.0023916   -0.0058627    0.0030684
 C    4.9326632    1.6032377   -0.6821133  0.00    0.0011930    0.0063008   -0.0071036
 C    5.3352506    2.8902290   -1.3316290  0.00    0.0009070   -0.0049120   -0.0054999
 H    4.4718767    3.4792923   -1.6629583  0.00    0.0004049    0.0012865   -0.0004125
 H    5.9653934    2.7041371   -2.2159882  0.00    0.0008322    0.0002969   -0.0035815
 H    5.9261706    3.5179311   -0.6428224  0.00    0.0036361   -0.0010975    0.0016110
 C    3.6272147    1.2774477   -0.3856803  0.00    0.0008466    0.0039346   -0.0080206
 H    3.4545940    0.3015515    0.0845666  0.00    0.0001370   -0.0028123    0.0043165
 C    2.4538532    2.0681370   -0.6223220  0.00    0.0016503   -0.0035375    0.0036678
 H    2.5756375    3.0511998   -1.0832563  0.00    0.0011739   -0.0046563    0.0015211
 C    1.1946089    1.6331323   -0.2970641  0.00    0.0029423    0.0057325   -0.0020435
 H    1.0895533    0.6377321    0.1509699  0.00   -0.0005006   -0.0025106    0.0001718
 C   -0.0279601    2.3670814   -0.4968781  0.00    0.0027612    0.0017935    0.0000604
 C    0.0489143    3.7325175   -1.1019592  0.00    0.0019570   -0.0030307    0.0037534
 H   -0.9316668    4.2102761   -1.2138838  0.00    0.0011418    0.0007263   -0.0016732
 H    0.5159727    3.6920417   -2.0997848  0.00   -0.0004780   -0.0001596   -0.0081124
 H    0.6791259    4.3992357   -0.4895198  0.00   -0.0011318    0.0007891    0.0006071
 C   -1.2140013    1.7530583   -0.1194304  0.00   -0.0002093   -0.0044392   -0.0010053
 H   -1.1648498    0.7451805    0.3061499  0.00   -0.0010165   -0.0025493   -0.0016144
 C   -2.5085516    2.2989461   -0.2369105  0.00    0.0011454   -0.0033164    0.0025547
 H   -2.6603641    3.3099972   -0.6313391  0.00    0.0017269   -0.0049168    0.0014639
 N   -3.5997982    1.6422703    0.1045756  0.00    0.0027369    0.0044495   -0.0028177
 H   -3.4767935    0.6627958    0.4564047  0.00    0.0008932   -0.0013082   -0.0046524
 C   -4.9338329    2.1854838    0.0408025  0.00   -0.0042328   -0.0132629   -0.0014126
 H   -4.9195724    3.0906052   -0.5880100  0.00    0.0015778   -0.0004113    0.0016908
 H   -5.5781811    1.4457518   -0.4603075  0.00   -0.0003593    0.0011443   -0.0015674
 C   -5.5015789    2.5063035    1.4225434  0.00   -0.0007940    0.0010768    0.0021848
 H   -5.4821763    1.5874144    2.0335778  0.00    0.0030114   -0.0033487    0.0063653
 H   -4.8352436    3.2273250    1.9294196  0.00   -0.0000960   -0.0024092   -0.0053159
 C   -6.9219474    3.0546544    1.3635103  0.00    0.0015013   -0.0003640    0.0033059
 H   -6.9361697    3.9673963    0.7413656  0.00    0.0003718   -0.0053643    0.0026820
 H   -7.5652627    2.3272706    0.8420428  0.00   -0.0060665    0.0002655   -0.0038381
 C   -7.5019542    3.3607982    2.7355519  0.00    0.0040888    0.0095861   -0.0021388
 H   -8.5313821    3.7403646    2.6594531  0.00   -0.0057389    0.0003105    0.0009735
 H   -7.5290467    2.4612539    3.3706727  0.00   -0.0006598   -0.0055643   -0.0011118
 H   -6.9056353    4.1196329    3.2674644  0.00    0.0034285    0.0009235   -0.0003254
 O   -5.6390411   -1.1816856   -0.9039038  0.00   -0.0103952   -0.0030538    0.0000336
 H   -4.8202543   -1.7709369   -0.5820139  0.00   -0.0009245   -0.0033796    0.0094769
 C   -6.7779961   -1.6775727   -0.5257760  0.00    0.0056762    0.0005949   -0.0114260
 O   -6.9907887   -2.6582905    0.1362100  0.00   -0.0066006   -0.0101158    0.0100635
 C   -7.9534965   -0.8451447   -1.0865722  0.00    0.0065513   -0.0058516   -0.0008398
 F   -7.7673311    0.4682215   -0.9001485  0.00   -0.0007378    0.0013524    0.0014494
 F   -8.0829330   -1.0491692   -2.3968766  0.00   -0.0003129   -0.0024817    0.0016343
 F   -9.0960359   -1.1771658   -0.4995805  0.00    0.0001236   -0.0004937   -0.0028572
 O   -2.8307171   -0.8045096    0.9707629  0.00    0.0011219   -0.0015762    0.0011448
 C   -2.8389475   -1.9586257    0.5224777  0.00   -0.0031278    0.0032766    0.0076999
 O   -3.6743653   -2.5366473   -0.2002995  0.00    0.0023578    0.0026010   -0.0024786
 C   -1.6065962   -2.8023718    0.9329337  0.00   -0.0040474    0.0017647    0.0034634
 F   -1.5505300   -2.9513262    2.2593288  0.00   -0.0009634    0.0011082   -0.0027947
 F   -1.6047117   -4.0204511    0.3921941  0.00   -0.0013329   -0.0041906   -0.0001481
 F   -0.4746226   -2.1933850    0.5511714  0.00    0.0005081   -0.0020714   -0.0015789
78
 Energy =   -2041.3861769983
 C    8.2164558   -1.4993655   -0.3020322  0.00    0.0048570   -0.0108405    0.0050398
 C    9.2427551   -2.4474106    0.2338264  0.00   -0.0064700   -0.0005070    0.0063524
 C   10.3195123   -1.8075890    1.0892361  0.00   -0.0050818   -0.0032806   -0.0040324
 C   10.7841856   -0.5321446    0.4159513  0.00   -0.0044553   -0.0014518   -0.0016235
 C    9.6649522    0.5135847    0.2948894  0.00    0.0058272   -0.0004029   -0.0029842
 C   10.1457196    1.5942930   -0.6867731  0.00   -0.0013821    0.0082906   -0.0022348
 H    9.5039096    2.4861146   -0.6902270  0.00    0.0015420    0.0014917    0.0003867
 H   10.1978984    1.2075304   -1.7160466  0.00    0.0006469   -0.0008626   -0.0044625
 H   11.1567868    1.9223632   -0.3999027  0.00   -0.0001022   -0.0006463    0.0027521
 C    9.4081023    1.1713591    1.6637529  0.00   -0.0063196   -0.0058934   -0.0006551
 H    8.5994362    1.9142977    1.6025212  0.00   -0.0038611   -0.0002499   -0.0003710
 H   10.3166243    1.6876586    2.0113299  0.00    0.0066687   -0.0004755    0.0003139
 H    9.1248796    0.4310702    2.4266250  0.00   -0.0037555    0.0093503   -0.0018427
 H   11.1560705   -0.7831192   -0.5941712  0.00    0.0039800    0.0091465    0.0029189
 H   11.6309047   -0.0767494    0.9540100  0.00    0.0017075   -0.0060504    0.0034767
 H    9.9274913   -1.5900047    2.0964468  0.00   -0.0000646    0.0000113    0.0006122
 H   11.1582402   -2.5065388    1.2279457  0.00   -0.0023922   -0.0064668    0.0019106
 H    8.7189776   -3.2554536    0.7793790  0.00   -0.0014228   -0.0000372   -0.0047326
 H    9.6997265   -2.9687245   -0.6324665  0.00    0.0005631   -0.0009018   -0.0045178
 C    7.0790995   -2.1676926   -1.0025156  0.00   -0.0030560    0.0054784   -0.0011563
 H    6.5618218   -1.5086177   -1.7111618  0.00    0.0020052    0.0031138    0.0006729
 H    6.3307689   -2.5502365   -0.2824299  0.00    0.0027862    0.0022949    0.0050940
 H    7.4479384   -3.0561201   -1.5425873  0.00    0.0003153    0.0082680   -0.0018455
 C    8.3551052   -0.1216245   -0.1959081  0.00    0.0007568    0.0065673   -0.0000302
 C    7.3009877    0.8105537   -0.5368328  0.00   -0.0011784    0.0046873   -0.0045452
 H    7.6240249    1.7919165   -0.8939374  0.00    0.0020571   -0.0037886    0.0060016
 C    5.9529522    0.6361041   -0.3541038  0.00    0.0005804    0.0004878   -0.0013994
 H    5.5961953   -0.2878539    0.1107328  0.00   -0.0008648   -0.0071882    0.0031542
 C    4.9325689    1.6043004   -0.6828418  0.00    0.0007185    0.0024993   -0.0103454
 C    5.3347337    2.8897674   -1.3350661  0.00    0.0031080   -0.0008722   -0.0055724
 H    4.4710617    3.4780954   -1.6669582  0.00    0.0003716    0.0013485   -0.0004674
 H    5.9641129    2.7019228   -2.2198345  0.00    0.0004662    0.0013279    0.0001920
 H    5.9255235    3.5188780   -0.6472399  0.00    0.0042185   -0.0017281   -0.0014395
 C    3.6272124    1.2791975   -0.3855285  0.00   -0.0003062   -0.0021754   -0.0045394
 H    3.4545366    0.3033473    0.0856894  0.00    0.0006586    0.0029558    0.0017309
 C    2.4540585    2.0701103   -0.6221181  0.00    0.0034597   -0.0026556    0.0012544
 H    2.5760071    3.0532235   -1.0830491  0.00    0.0005756   -0.0051382    0.0024755
 C    1.1949503    1.6344500   -0.2977311  0.00    0.0008176   -0.0004428    0.0011625
 H    1.0901261    0.6384826    0.1494538  0.00    0.0010051   -0.0000968    0.0001546
 C   -0.0281916    2.3670080   -0.4974841  0.00    0.0006453   -0.0011668    0.0001720
 C    0.0472182    3.7320581   -1.1032108  0.00    0.0010353    0.0004301   -0.0030783
 H   -0.9341132    4.2087119   -1.2145281  0.00    0.0034011    0.0006718   -0.0020827
 H    0.5137964    3.6920687   -2.1018552  0.00   -0.0038729   -0.0010306   -0.0003188
 H    0.6770225    4.3997409   -0.4914220  0.00   -0.0008494    0.0006855    0.0007071
 C   -1.2134697    1.7513216   -0.1196505  0.00    0.0010259   -0.0049758   -0.0042411
 H   -1.1632540    0.7434545    0.3058643  0.00   -0.0001552   -0.0021607   -0.0015870
 C   -2.5085017    2.2955322   -0.2379532  0.00    0.0014530    0.0007212    0.0039009
 H   -2.6604293    3.3069196   -0.6309967  0.00    0.0009584   -0.0021626   -0.0001193
 N   -3.5998087    1.6383546    0.1018514  0.00   -0.0063476    0.0015653   -0.0006938
 H   -3.4770954    0.6582308    0.4523444  0.00    0.0011526    0.0014003   -0.0019457
 C   -4.9340862    2.1823794    0.0393579  0.00    0.0029113   -0.0066940   -0.0013395
 H   -4.9194316    3.0879863   -0.5889663  0.00    0.0021239   -0.0017755    0.0023369
 H   -5.5789978    1.4440329   -0.4624228  0.00   -0.0025113   -0.0033350   -0.0009300
 C   -5.5012197    2.5041673    1.4214330  0.00    0.0010046   -0.0033759    0.0014166
 H   -5.4816856    1.5859741    2.0336521  0.00    0.0023453   -0.0035144    0.0042002
 H   -4.8342140    3.2250752    1.9274687  0.00   -0.0001528   -0.0008807   -0.0053814
 C   -6.9214477    3.0531102    1.3625413  0.00    0.0004297    0.0000931    0.0025938
 H   -6.9352327    3.9654432    0.7398601  0.00    0.0005746   -0.0042757    0.0024889
 H   -7.5653658    2.3259451    0.8410016  0.00   -0.0040989    0.0020891   -0.0002831
 C   -7.5010183    3.3606836    2.7346138  0.00    0.0011211    0.0039107    0.0018155
 H   -8.5302696    3.7412135    2.6590906  0.00   -0.0029722    0.0017590   -0.0009826
 H   -7.5302676    2.4611042    3.3699242  0.00    0.0013130   -0.0042366   -0.0031652
 H   -6.9036175    4.1181526    3.2675111  0.00    0.0025597    0.0006093   -0.0036629
 O   -5.6392414   -1.1852839   -0.9013894  0.00   -0.0007714   -0.0035022   -0.0013195
 H   -4.8201350   -1.7744268   -0.5788448  0.00   -0.0029262   -0.0040120    0.0098941
 C   -6.7785527   -1.6806039   -0.5249051  0.00   -0.0069064   -0.0042719   -0.0043536
 O   -6.9940715   -2.6609517    0.1371057  0.00    0.0008262   -0.0052401    0.0052819
 C   -7.9524782   -0.8471872   -1.0871015  0.00   -0.0008256   -0.0082054    0.0008535
 F   -7.7650981    0.4660012   -0.9011329  0.00   -0.0001500    0.0030787   -0.0003435
 F   -8.0818230   -1.0522654   -2.3971436  0.00    0.0023226   -0.0003837   -0.0019966
 F   -9.0960940   -1.1773940   -0.5009525  0.00    0.0010174   -0.0007048   -0.0006018
 O   -2.8302222   -0.8065947    0.9720290  0.00    0.0021732   -0.0087033   -0.0024636
 C   -2.8394088   -1.9615309    0.5254145  0.00   -0.0059059    0.0050209    0.0079798
 O   -3.6757602   -2.5399950   -0.1961945  0.00    0.0058517    0.0056561   -0.0009057
 C   -1.6080018   -2.8064913    0.9366354  0.00   -0.0048713    0.0076383   -0.0020883
 F   -1.5509029   -2.9520638    2.2631053  0.00    0.0008932   -0.0002510   -0.0003890
 F   -1.6097230   -4.0258390    0.3987183  0.00    0.0019308   -0.0027800    0.0006902
 F   -0.4751571   -2.2003241    0.5517753  0.00   -0.0051243   -0.0068308    0.0007987
78
 Energy =   -2041.3861978490
 C    8.2154925   -1.4990461   -0.3018948  0.00    0.0031266   -0.0035254    0.0032624
 C    9.2405979   -2.4475376    0.2348540  0.00   -0.0015040    0.0023125    0.0003710
 C   10.3179058   -1.8081239    1.0896401  0.00   -0.0002886   -0.0038544   -0.0017306
 C   10.7829557   -0.5327548    0.4161772  0.00    0.0018192   -0.0020545    0.0044450
 C    9.6646597    0.5135258    0.2949170  0.00    0.0014429    0.0005304   -0.0029444
 C   10.1462308    1.5943440   -0.6866261  0.00   -0.0003875    0.0067647   -0.0017457
 H    9.5061668    2.4875733   -0.6893712  0.00    0.0015707   -0.0008963    0.0012161
 H   10.1971716    1.2079209   -1.7161763  0.00    0.0000606   -0.0004997   -0.0032752
 H   11.1583027    1.9203405   -0.4005250  0.00   -0.0017901   -0.0007601    0.0028973
 C    9.4075480    1.1706377    1.6640222  0.00   -0.0051799   -0.0018664    0.0002122
 H    8.5997185    1.9145069    1.6021107  0.00   -0.0022628    0.0005641    0.0000958
 H   10.3166883    1.6854746    2.0129894  0.00    0.0025068   -0.0022229   -0.0004947
 H    9.1217373    0.4304810    2.4261209  0.00   -0.0018497    0.0090915   -0.0024912
 H   11.1560252   -0.7841361   -0.5931704  0.00    0.0032284    0.0091448   -0.0011273
 H   11.6294443   -0.0771852    0.9548095  0.00    0.0004736   -0.0084236    0.0025021
 H    9.9271692   -1.5904508    2.0973142  0.00   -0.0016967    0.0001760    0.0002389
 H   11.1564737   -2.5076592    1.2279772  0.00   -0.0041963   -0.0039255    0.0008808
 H    8.7162357   -3.2546602    0.7804345  0.00   -0.0041454   -0.0041660   -0.0013613
 H    9.6971137   -2.9696514   -0.6314106  0.00    0.0000968   -0.0001757   -0.0022178
 C    7.0791417   -2.1668420   -1.0045306  0.00   -0.0018842    0.0051425   -0.0020765
 H    6.5633875   -1.5071147   -1.7135772  0.00    0.0000008    0.0040743    0.0010604
 H    6.3298835   -2.5501451   -0.2858719  0.00    0.0018979    0.0020958    0.0044561
 H    7.4488468   -3.0545679   -1.5453760  0.00    0.0002082    0.0089113    0.0001686
 C    8.3544328   -0.1210146   -0.1956342  0.00    0.0003590   -0.0004387   -0.0033667
 C    7.3005704    0.8114117   -0.5368963  0.00   -0.0010695   -0.0045284   -0.0010929
 H    7.6242218    1.7923433   -0.8933135  0.00    0.0028870    0.0033078    0.0028774
 C    5.9524862    0.6368316   -0.3546443  0.00    0.0007680    0.0021284    0.0009404
 H    5.5950811   -0.2868039    0.1105836  0.00    0.0013095   -0.0064199    0.0018939
 C    4.9324143    1.6053092   -0.6834629  0.00   -0.0009017   -0.0036244   -0.0135331
 C    5.3342900    2.8892405   -1.3381669  0.00    0.0042567    0.0057237   -0.0053800
 H    4.4703118    3.4771805   -1.6703421  0.00    0.0020002    0.0004840   -0.0000053
 H    5.9630528    2.7001835   -2.2233083  0.00   -0.0002018    0.0011640    0.0031950
 H    5.9252689    3.5193989   -0.6512199  0.00    0.0040221   -0.0021440   -0.0044440
 C    3.6271584    1.2806277   -0.3854764  0.00    0.0028497   -0.0044650   -0.0017918
 H    3.4545608    0.3051585    0.0866813  0.00    0.0006049    0.0038807    0.0011785
 C    2.4543811    2.0716580   -0.6218454  0.00    0.0016562    0.0003088   -0.0017149
 H    2.5765601    3.0546866   -1.0828508  0.00   -0.0000230   -0.0043433    0.0030152
 C    1.1953394    1.6355965   -0.2982454  0.00   -0.0007581   -0.0067294    0.0032906
 H    1.0909207    0.6390090    0.1479404  0.00    0.0015049    0.0018560    0.0006557
 C   -0.0283638    2.3668420   -0.4980203  0.00   -0.0019638   -0.0029560    0.0004838
 C    0.0458721    3.7315505   -1.1044682  0.00    0.0003207    0.0028174   -0.0064878
 H   -0.9358970    4.2075811   -1.2154601  0.00    0.0042735    0.0000405   -0.0021613
 H    0.5118437    3.6913124   -2.1037719  0.00   -0.0054394   -0.0006912    0.0052807
 H    0.6753314    4.4000225   -0.4930706  0.00   -0.0006739   -0.0000681   -0.0008283
 C   -1.2130258    1.7496940   -0.1199227  0.00    0.0015803   -0.0059923   -0.0052709
 H   -1.1620139    0.7417953    0.3055688  0.00    0.0011925   -0.0014498   -0.0019672
 C   -2.5085382    2.2924791   -0.2385346  0.00    0.0018679    0.0037255    0.0030797
 H   -2.6605772    3.3041380   -0.6304284  0.00    0.0002796    0.0007193   -0.0011689
 N   -3.5999979    1.6347011    0.0993211  0.00   -0.0069531   -0.0023036    0.0018455
 H   -3.4771712    0.6541973    0.4488827  0.00    0.0004402    0.0027557    0.0001117
 C   -4.9340605    2.1795302    0.0380477  0.00    0.0022706   -0.0030316   -0.0020795
 H   -4.9184971    3.0856048   -0.5896449  0.00    0.0012016   -0.0020374    0.0021951
 H   -5.5799308    1.4424647   -0.4644941  0.00   -0.0014680   -0.0036051    0.0015993
 C   -5.5006595    2.5021255    1.4205120  0.00    0.0036538   -0.0061541   -0.0000718
 H   -5.4803484    1.5845061    2.0337220  0.00    0.0006876   -0.0030233    0.0025763
 H   -4.8332803    3.2233683    1.9256322  0.00   -0.0002284   -0.0008504   -0.0059069
 C   -6.9207403    3.0516444    1.3617880  0.00   -0.0002405   -0.0013279    0.0009366
 H   -6.9338976    3.9634977    0.7386403  0.00    0.0007964   -0.0017528    0.0014899
 H   -7.5655022    2.3249837    0.8400767  0.00   -0.0016247    0.0033362    0.0032421
 C   -7.4998678    3.3605366    2.7338022  0.00   -0.0066140   -0.0016504    0.0008295
 H   -8.5289877    3.7423306    2.6582111  0.00    0.0021117    0.0005328   -0.0010298
 H   -7.5306896    2.4606792    3.3688396  0.00    0.0014298   -0.0025424   -0.0033106
 H   -6.9017792    4.1168173    3.2672062  0.00    0.0048556    0.0029374   -0.0035887
 O   -5.6395591   -1.1885863   -0.8993287  0.00    0.0034750   -0.0034680   -0.0020642
 H   -4.8206599   -1.7776299   -0.5760198  0.00   -0.0022164   -0.0043138    0.0098629
 C   -6.7792893   -1.6832986   -0.5241498  0.00   -0.0107489   -0.0117759    0.0047947
 O   -6.9966742   -2.6634399    0.1380199  0.00    0.0045648    0.0017903   -0.0005353
 C   -7.9516085   -0.8492307   -1.0874854  0.00   -0.0052852   -0.0010469    0.0001641
 F   -7.7632711    0.4642612   -0.9021887  0.00    0.0003391   -0.0021786   -0.0017390
 F   -8.0800741   -1.0551628   -2.3973830  0.00    0.0024188    0.0003534   -0.0044657
 F   -9.0960916   -1.1775721   -0.5022133  0.00   -0.0006110   -0.0017056    0.0007868
 O   -2.8291549   -0.8086277    0.9731362  0.00    0.0008958   -0.0022751   -0.0011464
 C   -2.8398690   -1.9639692    0.5281738  0.00    0.0008901    0.0030458    0.0069655
 O   -3.6765442   -2.5424137   -0.1927487  0.00   -0.0012507    0.0016626   -0.0047032
 C   -1.6094147   -2.8097020    0.9398100  0.00    0.0001142   -0.0002282   -0.0064794
 F   -1.5510628   -2.9523998    2.2662393  0.00    0.0009802   -0.0006867    0.0047732
 F   -1.6133865   -4.0305569    0.4044459  0.00   -0.0007031    0.0011293    0.0032541
 F   -0.4758027   -2.2067652    0.5522598  0.00   -0.0057400   -0.0045834   -0.0000583
78
 Energy =   -2041.3862200869
 C    8.2144484   -1.4987152   -0.3015509  0.00   -0.0044504    0.0098838   -0.0040674
 C    9.2377647   -2.4475881    0.2360692  0.00    0.0043651   -0.0025793   -0.0041456
 C   10.3158749   -1.8090350    1.0901692  0.00    0.0024014   -0.0019247    0.0035931
 C   10.7814893   -0.5336100    0.4167569  0.00    0.0075253   -0.0037175    0.0012862
 C    9.6641807    0.5134767    0.2946981  0.00   -0.0033099   -0.0000759   -0.0000038
 C   10.1468508    1.5946749   -0.6865244  0.00    0.0023539   -0.0050716   -0.0015842
 H    9.5090965    2.4893092   -0.6874102  0.00   -0.0009433    0.0010778    0.0006110
 H   10.1958144    1.2084230   -1.7166233  0.00   -0.0001882    0.0030586    0.0020512
 H   11.1601841    1.9173240   -0.4008960  0.00   -0.0027369    0.0005404    0.0017255
 C    9.4065056    1.1696852    1.6642894  0.00    0.0035253    0.0044742   -0.0036095
 H    8.6001061    1.9147851    1.6015110  0.00   -0.0028417    0.0042462    0.0003910
 H   10.3169641    1.6824193    2.0144830  0.00   -0.0057218   -0.0052578   -0.0006851
 H    9.1172957    0.4298637    2.4251119  0.00    0.0001512    0.0058828   -0.0000590
 H   11.1568507   -0.7849410   -0.5919294  0.00   -0.0009391    0.0090069   -0.0004004
 H   11.6274384   -0.0778636    0.9558969  0.00    0.0020325   -0.0092090    0.0050772
 H    9.9262518   -1.5910219    2.0983910  0.00   -0.0019054   -0.0005398   -0.0025711
 H   11.1539510   -2.5095208    1.2282264  0.00   -0.0056427   -0.0007974   -0.0002157
 H    8.7120355   -3.2538869    0.7815586  0.00   -0.0027375   -0.0045936   -0.0005002
 H    9.6937772   -2.9704630   -0.6303810  0.00   -0.0011799    0.0004993    0.0018795
 C    7.0791634   -2.1655377   -1.0071230  0.00    0.0025024    0.0056280   -0.0012518
 H    6.5651853   -1.5048478   -1.7164630  0.00   -0.0018305    0.0046770    0.0016293
 H    6.3291729   -2.5497634   -0.2900471  0.00   -0.0016212    0.0009053    0.0048949
 H    7.4500340   -3.0524133   -1.5486407  0.00   -0.0001498    0.0087510    0.0009729
 C    8.3535888   -0.1202881   -0.1955903  0.00    0.0019635   -0.0109089   -0.0050103
 C    7.3000114    0.8122830   -0.5370443  0.00    0.0011420   -0.0087649    0.0022294
 H    7.6250707    1.7930592   -0.8919889  0.00    0.0005782    0.0071557   -0.0002129
 C    5.9518759    0.6378123   -0.3551262  0.00    0.0021529    0.0009507    0.0020483
 H    5.5936303   -0.2856112    0.1103883  0.00    0.0044745   -0.0042532    0.0000493
 C    4.9321707    1.6063052   -0.6845560  0.00    0.0006723   -0.0038180   -0.0172866
 C    5.3339799    2.8888723   -1.3421606  0.00   -0.0013032    0.0059363   -0.0017249
 H    4.4694364    3.4762313   -1.6743491  0.00    0.0046353    0.0003011    0.0005067
 H    5.9617247    2.6984250   -2.2274971  0.00    0.0014158   -0.0005838    0.0013209
 H    5.9256950    3.5197891   -0.6567269  0.00    0.0046433   -0.0001570   -0.0039826
 C    3.6272001    1.2821491   -0.3854362  0.00    0.0048338    0.0015909   -0.0028871
 H    3.4547761    0.3076332    0.0879365  0.00   -0.0006029   -0.0011932    0.0031947
 C    2.4548583    2.0735745   -0.6216275  0.00   -0.0034476   -0.0049540   -0.0007320
 H    2.5773153    3.0562991   -1.0824322  0.00   -0.0003291    0.0011249    0.0012697
 C    1.1958810    1.6367061   -0.2987821  0.00    0.0000186   -0.0037578    0.0006123
 H    1.0922886    0.6396741    0.1460181  0.00    0.0009634   -0.0011037    0.0037415
 C   -0.0286335    2.3664668   -0.4986762  0.00   -0.0028857   -0.0034900   -0.0002916
 C    0.0441421    3.7310837   -1.1062931  0.00   -0.0021619   -0.0022335    0.0038131
 H   -0.9379102    4.2063449   -1.2170748  0.00    0.0023387    0.0004307   -0.0020464
 H    0.5090926    3.6897995   -2.1055682  0.00   -0.0014173    0.0004117    0.0001277
 H    0.6732983    4.4001685   -0.4951539  0.00   -0.0005393   -0.0002304   -0.0032376
 C   -1.2123496    1.7472800   -0.1203700  0.00   -0.0014418   -0.0025924   -0.0063495
 H   -1.1601169    0.7394368    0.3050611  0.00    0.0019791   -0.0016640   -0.0021068
 C   -2.5084809    2.2887636   -0.2389804  0.00   -0.0022333    0.0018090    0.0019599
 H   -2.6605419    3.3008251   -0.6297841  0.00   -0.0003929    0.0014286   -0.0007472
 N   -3.6004489    1.6300175    0.0963467  0.00    0.0062645    0.0013969    0.0003997
 H   -3.4772646    0.6492666    0.4445724  0.00   -0.0008962    0.0007433    0.0040978
 C   -4.9338010    2.1759125    0.0362829  0.00   -0.0045674   -0.0042276   -0.0001637
 H   -4.9169810    3.0825295   -0.5902896  0.00   -0.0004756   -0.0000289   -0.0001228
 H   -5.5810075    1.4401417   -0.4670391  0.00    0.0015269   -0.0010011    0.0052815
 C   -5.4995535    2.4991583    1.4193426  0.00   -0.0028091   -0.0045011   -0.0019380
 H   -5.4784930    1.5824683    2.0339768  0.00   -0.0005584   -0.0035373    0.0004171
 H   -4.8322102    3.2212133    1.9231517  0.00    0.0016970   -0.0005773   -0.0054293
 C   -6.9198095    3.0497702    1.3608691  0.00    0.0037541   -0.0018088    0.0012996
 H   -6.9317134    3.9610142    0.7370951  0.00    0.0006016    0.0013223    0.0005855
 H   -7.5657039    2.3241407    0.8391085  0.00   -0.0004993    0.0014012    0.0045365
 C   -7.4989438    3.3602905    2.7328143  0.00   -0.0002436   -0.0044218   -0.0041679
 H   -8.5273767    3.7437827    2.6566988  0.00    0.0021513   -0.0003788   -0.0001597
 H   -7.5304528    2.4600532    3.3670870  0.00   -0.0013281   -0.0025267   -0.0003459
 H   -6.8994308    4.1153477    3.2664586  0.00    0.0039589    0.0028753   -0.0045195
 O   -5.6398626   -1.1931111   -0.8969506  0.00   -0.0039090   -0.0020013   -0.0030494
 H   -4.8215728   -1.7820754   -0.5723502  0.00    0.0001304   -0.0046426    0.0094435
 C   -6.7805725   -1.6870097   -0.5231184  0.00    0.0001529   -0.0062131    0.0055700
 O   -6.9990377   -2.6666478    0.1392695  0.00    0.0010430   -0.0014710    0.0006196
 C   -7.9508991   -0.8518395   -1.0881312  0.00   -0.0025612    0.0022521   -0.0015510
 F   -7.7608518    0.4617249   -0.9041462  0.00   -0.0007268   -0.0042385   -0.0000800
 F   -8.0773850   -1.0586343   -2.3980431  0.00   -0.0012349   -0.0010120   -0.0054608
 F   -9.0963202   -1.1779316   -0.5037783  0.00   -0.0033929   -0.0020617   -0.0003112
 O   -2.8277299   -0.8109705    0.9743034  0.00   -0.0008318    0.0099103    0.0041319
 C   -2.8406417   -1.9667771    0.5317680  0.00    0.0040169   -0.0063846   -0.0024198
 O   -3.6778031   -2.5450435   -0.1886919  0.00   -0.0035934   -0.0021192   -0.0038178
 C   -1.6114852   -2.8136947    0.9434733  0.00    0.0016052   -0.0107869    0.0029441
 F   -1.5510595   -2.9528766    2.2704734  0.00   -0.0007871   -0.0004375    0.0018562
 F   -1.6187960   -4.0362275    0.4117078  0.00   -0.0034255    0.0010254    0.0035589
 F   -0.4772469   -2.2152409    0.5526615  0.00    0.0002270    0.0024535   -0.0037603
78
 Energy =   -2041.3862344544
 C    8.2137380   -1.4982809   -0.3016035  0.00   -0.0034766    0.0060888   -0.0059231
 C    9.2362357   -2.4477004    0.2368951  0.00    0.0007037   -0.0047928   -0.0038364
 C   10.3148372   -1.8095668    1.0908339  0.00   -0.0009546   -0.0000640    0.0031110
 C   10.7810522   -0.5342540    0.4172041  0.00    0.0019690   -0.0045075    0.0001736
 C    9.6638164    0.5132853    0.2945752  0.00    0.0002398   -0.0022223    0.0001167
 C   10.1474822    1.5946469   -0.6862382  0.00    0.0029541   -0.0054309    0.0022507
 H    9.5112245    2.4903819   -0.6854046  0.00   -0.0010433    0.0006655   -0.0001006
 H   10.1951155    1.2095169   -1.7167465  0.00   -0.0001430    0.0025143    0.0013178
 H   11.1616218    1.9152123   -0.4006883  0.00   -0.0043882    0.0005499    0.0006252
 C    9.4059789    1.1691895    1.6641659  0.00    0.0019099    0.0021164   -0.0026719
 H    8.6004969    1.9151114    1.6011771  0.00   -0.0034313    0.0062167    0.0000394
 H   10.3169050    1.6802918    2.0150904  0.00   -0.0046169   -0.0036078    0.0007513
 H    9.1148826    0.4294670    2.4244645  0.00    0.0014444    0.0062029   -0.0007474
 H   11.1571350   -0.7855058   -0.5912366  0.00   -0.0016869    0.0082291   -0.0003596
 H   11.6264537   -0.0784620    0.9567029  0.00    0.0049991   -0.0081899    0.0070069
 H    9.9252980   -1.5912858    2.0991481  0.00   -0.0008565   -0.0005857   -0.0042053
 H   11.1522887   -2.5106476    1.2287863  0.00   -0.0037972   -0.0011893    0.0001991
 H    8.7092131   -3.2536031    0.7825080  0.00    0.0010031   -0.0002191   -0.0025764
 H    9.6918099   -2.9712677   -0.6293967  0.00   -0.0008355    0.0003777    0.0025960
 C    7.0792860   -2.1645339   -1.0089963  0.00    0.0001890    0.0063933   -0.0007746
 H    6.5661701   -1.5035163   -1.7189055  0.00   -0.0007805    0.0035423    0.0041989
 H    6.3285118   -2.5495469   -0.2930643  0.00   -0.0014204    0.0014260    0.0037662
 H    7.4511837   -3.0508564   -1.5505056  0.00   -0.0001745    0.0069857   -0.0000516
 C    8.3532375   -0.1200749   -0.1959228  0.00    0.0034364   -0.0097090   -0.0026492
 C    7.2998759    0.8125588   -0.5370686  0.00    0.0044751    0.0005764   -0.0003929
 H    7.6258675    1.7937316   -0.8912830  0.00   -0.0028339    0.0017738    0.0007318
 C    5.9517002    0.6386369   -0.3553213  0.00    0.0003636   -0.0018570    0.0010039
 H    5.5928773   -0.2847146    0.1102908  0.00    0.0061023   -0.0022636   -0.0009726
 C    4.9321321    1.6069128   -0.6857679  0.00    0.0019745    0.0001494   -0.0161648
 C    5.3337464    2.8890972   -1.3449693  0.00   -0.0010944   -0.0021473   -0.0006650
 H    4.4689208    3.4757652   -1.6773189  0.00    0.0042931    0.0018832   -0.0001440
 H    5.9612672    2.6973587   -2.2301414  0.00    0.0007598   -0.0006278    0.0000088
 H    5.9262471    3.5204178   -0.6608629  0.00    0.0045615    0.0017675   -0.0015768
 C    3.6273491    1.2832657   -0.3853845  0.00    0.0045478    0.0035119   -0.0045614
 H    3.4548541    0.3093333    0.0888764  0.00   -0.0002049   -0.0032280    0.0039102
 C    2.4549836    2.0746388   -0.6215462  0.00   -0.0018737   -0.0019373   -0.0020230
 H    2.5775900    3.0575553   -1.0820238  0.00   -0.0010751    0.0005178    0.0013971
 C    1.1961522    1.6373556   -0.2991770  0.00   -0.0013285   -0.0024722    0.0000136
 H    1.0932057    0.6401979    0.1451093  0.00    0.0002250   -0.0033185    0.0052562
 C   -0.0289745    2.3661544   -0.4991357  0.00   -0.0011017   -0.0031685   -0.0014905
 C    0.0427559    3.7307489   -1.1073610  0.00   -0.0032693   -0.0042800    0.0083897
 H   -0.9393924    4.2055504   -1.2183947  0.00    0.0003428    0.0004986   -0.0009063
 H    0.5069412    3.6892221   -2.1066782  0.00    0.0017557   -0.0000340   -0.0033437
 H    0.6717042    4.4004693   -0.4966783  0.00   -0.0004969   -0.0005648   -0.0037838
 C   -1.2119164    1.7455113   -0.1208284  0.00   -0.0038034   -0.0010525   -0.0059413
 H   -1.1583685    0.7376739    0.3046085  0.00    0.0008068   -0.0006203   -0.0027312
 C   -2.5084562    2.2862769   -0.2393667  0.00   -0.0022780    0.0018591    0.0001441
 H   -2.6604257    3.2986321   -0.6297243  0.00   -0.0007533    0.0000706    0.0005271
 N   -3.6005680    1.6269295    0.0944093  0.00    0.0050572    0.0037192    0.0002306
 H   -3.4774557    0.6459660    0.4418354  0.00   -0.0005041   -0.0001260    0.0063357
 C   -4.9339250    2.1733384    0.0350473  0.00   -0.0031165   -0.0049754    0.0013094
 H   -4.9165011    3.0803231   -0.5909113  0.00   -0.0014888    0.0000898   -0.0009658
 H   -5.5816770    1.4381645   -0.4684360  0.00    0.0022285   -0.0010634    0.0054755
 C   -5.4992023    2.4968731    1.4183936  0.00    0.0002444    0.0010722    0.0006962
 H   -5.4777482    1.5809287    2.0341285  0.00   -0.0012737   -0.0044462   -0.0013133
 H   -4.8311701    3.2193953    1.9212857  0.00   -0.0012907   -0.0035516   -0.0068643
 C   -6.9192582    3.0484890    1.3602342  0.00    0.0050626   -0.0002997    0.0006435
 H   -6.9302896    3.9594334    0.7360492  0.00    0.0003509    0.0018968    0.0004175
 H   -7.5659591    2.3235285    0.8387958  0.00   -0.0009986   -0.0006270    0.0035043
 C   -7.4983467    3.3601044    2.7320222  0.00    0.0009347   -0.0053582   -0.0054812
 H   -8.5265258    3.7445908    2.6558416  0.00    0.0043680   -0.0004994   -0.0005934
 H   -7.5309879    2.4595847    3.3657869  0.00   -0.0011453   -0.0018269    0.0015836
 H   -6.8977524    4.1144867    3.2655431  0.00    0.0026193    0.0017628   -0.0042197
 O   -5.6400855   -1.1964725   -0.8954254  0.00   -0.0063183   -0.0007659   -0.0028880
 H   -4.8220476   -1.7854130   -0.5696093  0.00   -0.0000363   -0.0037367    0.0080728
 C   -6.7814191   -1.6896517   -0.5223329  0.00    0.0056007    0.0022940   -0.0003845
 O   -7.0005369   -2.6688767    0.1400671  0.00   -0.0031855   -0.0083334    0.0054677
 C   -7.9506540   -0.8535792   -1.0886731  0.00    0.0010359   -0.0018335   -0.0025172
 F   -7.7593916    0.4597678   -0.9053201  0.00   -0.0016014   -0.0023950    0.0005563
 F   -8.0760579   -1.0609070   -2.3987474  0.00   -0.0027232   -0.0011175   -0.0025215
 F   -9.0966255   -1.1784500   -0.5048138  0.00   -0.0048586   -0.0015037   -0.0017496
 O   -2.8269990   -0.8124310    0.9751957  0.00   -0.0001238    0.0019346    0.0016335
 C   -2.8410838   -1.9690002    0.5342027  0.00    0.0015363   -0.0012495   -0.0030888
 O   -3.6788542   -2.5471645   -0.1858248  0.00   -0.0006518   -0.0026889   -0.0006689
 C   -1.6128791   -2.8170890    0.9462972  0.00   -0.0004420   -0.0053526    0.0066994
 F   -1.5511431   -2.9536890    2.2736267  0.00   -0.0002572   -0.0000144   -0.0003857
 F   -1.6230998   -4.0404186    0.4170702  0.00   -0.0024204   -0.0029685    0.0020701
 F   -0.4782869   -2.2210736    0.5528631  0.00    0.0007836    0.0011632   -0.0035802
78
 Energy =   -2041.3862526979
 C    8.2128293   -1.4976476   -0.3019743  0.00    0.0028048   -0.0084760   -0.0043357
 C    9.2344481   -2.4480747    0.2379305  0.00   -0.0045513    0.0026047   -0.0045960
 C   10.3135049   -1.8101560    1.0918117  0.00   -0.0052293   -0.0003631   -0.0018846
 C   10.7807110   -0.5351773    0.4178106  0.00   -0.0048771   -0.0030640    0.0009611
 C    9.6635027    0.5128364    0.2944144  0.00    0.0054511   -0.0032250    0.0017212
 C   10.1483726    1.5943819   -0.6856941  0.00    0.0010726    0.0013663    0.0057629
 H    9.5136318    2.4915188   -0.6833037  0.00    0.0002607   -0.0031275    0.0000876
 H   10.1949172    1.2113486   -1.7168030  0.00    0.0000579   -0.0006241   -0.0012377
 H   11.1631059    1.9132610   -0.4000861  0.00   -0.0051897   -0.0001706    0.0002078
 C    9.4054038    1.1686354    1.6639032  0.00   -0.0050049   -0.0011367   -0.0011913
 H    8.6008513    1.9157109    1.6008579  0.00   -0.0017771    0.0052636   -0.0002969
 H   10.3165224    1.6776266    2.0160216  0.00    0.0009544    0.0010615    0.0019768
 H    9.1128107    0.4290786    2.4238756  0.00    0.0009007    0.0061493   -0.0019093
 H   11.1569269   -0.7859010   -0.5905620  0.00   -0.0006028    0.0053791   -0.0013389
 H   11.6257614   -0.0793254    0.9576389  0.00    0.0060368   -0.0081045    0.0076485
 H    9.9238597   -1.5914455    2.0998700  0.00   -0.0006940    0.0003083   -0.0027086
 H   11.1498270   -2.5122384    1.2298718  0.00   -0.0000132   -0.0017969    0.0011092
 H    8.7062091   -3.2533740    0.7834235  0.00    0.0019777    0.0016803   -0.0019150
 H    9.6896329   -2.9723353   -0.6277976  0.00    0.0013629   -0.0012023   -0.0003584
 C    7.0794672   -2.1632160   -1.0113050  0.00   -0.0047913    0.0049917    0.0002220
 H    6.5674089   -1.5017043   -1.7217295  0.00   -0.0000575    0.0019983    0.0059652
 H    6.3275728   -2.5492040   -0.2967439  0.00    0.0005711    0.0028607    0.0014846
 H    7.4526719   -3.0490289   -1.5526191  0.00   -0.0009778    0.0058847   -0.0014130
 C    8.3530977   -0.1200808   -0.1966031  0.00    0.0027220    0.0010636    0.0005567
 C    7.2999563    0.8128639   -0.5372905  0.00    0.0041093    0.0070284   -0.0016743
 H    7.6262869    1.7945127   -0.8905150  0.00   -0.0034442   -0.0012584    0.0004311
 C    5.9516214    0.6396288   -0.3556145  0.00    0.0008587   -0.0025493   -0.0025099
 H    5.5924138   -0.2835815    0.1102227  0.00    0.0063515   -0.0008493   -0.0016858
 C    4.9322124    1.6077591   -0.6875950  0.00    0.0016531    0.0008178   -0.0096978
 C    5.3333482    2.8894511   -1.3482776  0.00    0.0039904   -0.0052626   -0.0010474
 H    4.4683958    3.4757022   -1.6811191  0.00    0.0051957    0.0014319   -0.0002869
 H    5.9611826    2.6962523   -2.2329655  0.00   -0.0013853   -0.0000722   -0.0012684
 H    5.9269337    3.5216017   -0.6657420  0.00    0.0017884    0.0009870   -0.0004128
 C    3.6276567    1.2847868   -0.3853637  0.00    0.0017034   -0.0008759   -0.0049229
 H    3.4549999    0.3111330    0.0900752  0.00    0.0017672    0.0007545    0.0017774
 C    2.4549772    2.0757805   -0.6216248  0.00   -0.0003207   -0.0001405   -0.0011170
 H    2.5774903    3.0589791   -1.0814248  0.00   -0.0015047    0.0011041    0.0001651
 C    1.1962992    1.6379746   -0.2995900  0.00   -0.0012139   -0.0028030    0.0001088
 H    1.0941369    0.6407242    0.1446327  0.00   -0.0003976   -0.0036453    0.0053393
 C   -0.0295283    2.3656753   -0.4997501  0.00    0.0011727   -0.0040463   -0.0012007
 C    0.0409712    3.7301180   -1.1082534  0.00   -0.0019323   -0.0021123    0.0021103
 H   -0.9411522    4.2047078   -1.2200308  0.00   -0.0017067   -0.0006227    0.0014030
 H    0.5043910    3.6886411   -2.1081240  0.00    0.0025839   -0.0009256   -0.0004363
 H    0.6696690    4.4008970   -0.4985411  0.00    0.0001603   -0.0012802   -0.0029788
 C   -1.2116391    1.7434762   -0.1215876  0.00   -0.0048185    0.0000098   -0.0045658
 H   -1.1563067    0.7356801    0.3039038  0.00   -0.0016756    0.0005138   -0.0035888
 C   -2.5085803    2.2835012   -0.2399147  0.00   -0.0010610    0.0021834   -0.0024217
 H   -2.6606637    3.2961110   -0.6298808  0.00   -0.0007095   -0.0015369    0.0017377
 N   -3.6006260    1.6234703    0.0924138  0.00   -0.0020526    0.0034735    0.0021016
 H   -3.4776689    0.6423190    0.4395694  0.00    0.0006339    0.0011783    0.0068764
 C   -4.9342942    2.1701769    0.0337093  0.00    0.0028230   -0.0028077    0.0019561
 H   -4.9165126    3.0775567   -0.5918793  0.00   -0.0022430   -0.0020305   -0.0006641
 H   -5.5823705    1.4354290   -0.4696333  0.00    0.0016211   -0.0026258    0.0045133
 C   -5.4988423    2.4942614    1.4172851  0.00   -0.0011580   -0.0016958    0.0012536
 H   -5.4774329    1.5788417    2.0340682  0.00   -0.0012203   -0.0030731   -0.0037436
 H   -4.8302768    3.2168752    1.9188463  0.00    0.0006615   -0.0016056   -0.0041219
 C   -6.9184963    3.0469812    1.3594908  0.00    0.0038832    0.0006442   -0.0027631
 H   -6.9286365    3.9576679    0.7349376  0.00   -0.0001014    0.0019714   -0.0001928
 H   -7.5663924    2.3226879    0.8388679  0.00   -0.0005867   -0.0024989    0.0008057
 C   -7.4975729    3.3597493    2.7307554  0.00    0.0031850   -0.0070018    0.0008267
 H   -8.5253517    3.7453834    2.6546573  0.00    0.0052061    0.0002987   -0.0019899
 H   -7.5319766    2.4588766    3.3643723  0.00    0.0005487    0.0026395    0.0010063
 H   -6.8956857    4.1136448    3.2638938  0.00   -0.0000592   -0.0012549   -0.0034390
 O   -5.6404500   -1.2003660   -0.8938648  0.00    0.0002201   -0.0021236    0.0000732
 H   -4.8225478   -1.7895004   -0.5661994  0.00   -0.0015344   -0.0008566    0.0046397
 C   -6.7821619   -1.6925910   -0.5213822  0.00   -0.0008699    0.0022630   -0.0039615
 O   -7.0026290   -2.6716016    0.1409630  0.00   -0.0027778   -0.0065612    0.0055104
 C   -7.9503801   -0.8556093   -1.0893920  0.00   -0.0013002   -0.0093822    0.0000174
 F   -7.7582869    0.4573903   -0.9063898  0.00   -0.0008394    0.0018105    0.0001424
 F   -8.0751187   -1.0635382   -2.3995673  0.00   -0.0021321   -0.0005923    0.0007591
 F   -9.0971889   -1.1793035   -0.5060258  0.00   -0.0025870   -0.0010193   -0.0040297
 O   -2.8259569   -0.8143747    0.9761838  0.00    0.0005222   -0.0110112   -0.0029747
 C   -2.8413383   -1.9719384    0.5369747  0.00   -0.0026564    0.0060349   -0.0007977
 O   -3.6799423   -2.5501853   -0.1823268  0.00    0.0021347   -0.0006867    0.0029006
 C   -1.6143683   -2.8215404    0.9500413  0.00   -0.0020995    0.0056105    0.0010625
 F   -1.5511523   -2.9548513    2.2774011  0.00    0.0015959   -0.0003306    0.0013416
 F   -1.6282090   -4.0458884    0.4237119  0.00    0.0008649   -0.0046280    0.0016518
 F   -0.4793649   -2.2278501    0.5530709  0.00   -0.0028489   -0.0055955   -0.0004849
78
 Energy =   -2041.3862680522
 C    8.2120729   -1.4975060   -0.3024330  0.00    0.0036919   -0.0053352   -0.0038830
 C    9.2322502   -2.4483101    0.2388938  0.00   -0.0009846    0.0040683   -0.0096051
 C   10.3114926   -1.8109230    1.0926187  0.00   -0.0014375   -0.0006340   -0.0035335
 C   10.7799061   -0.5362680    0.4185383  0.00    0.0001359    0.0012603    0.0028917
 C    9.6634311    0.5122632    0.2944323  0.00    0.0021448    0.0011811    0.0018662
 C   10.1491478    1.5942231   -0.6851068  0.00   -0.0022923    0.0014762    0.0040835
 H    9.5156467    2.4923277   -0.6819997  0.00   -0.0008828   -0.0050459    0.0013348
 H   10.1950379    1.2127873   -1.7168959  0.00    0.0004348   -0.0022293    0.0001780
 H   11.1639234    1.9121034   -0.3994142  0.00   -0.0012253   -0.0001118    0.0011358
 C    9.4045662    1.1680828    1.6636963  0.00   -0.0043261    0.0004282    0.0022570
 H    8.6009188    1.9163927    1.6007834  0.00    0.0007009    0.0030387   -0.0010381
 H   10.3161311    1.6749806    2.0175336  0.00    0.0016554    0.0037889    0.0001500
 H    9.1111361    0.4288215    2.4234482  0.00   -0.0020102    0.0037417   -0.0015320
 H   11.1564353   -0.7856623   -0.5898988  0.00   -0.0000865    0.0004611   -0.0023805
 H   11.6252778   -0.0802801    0.9584501  0.00    0.0015145   -0.0114585    0.0066215
 H    9.9219121   -1.5914141    2.1002940  0.00   -0.0018210    0.0009782    0.0004009
 H   11.1466766   -2.5143515    1.2312926  0.00    0.0006292    0.0008392    0.0007713
 H    8.7034109   -3.2531188    0.7838957  0.00   -0.0007960   -0.0007284    0.0017089
 H    9.6876351   -2.9733662   -0.6261665  0.00    0.0018308   -0.0014796   -0.0018336
 C    7.0795630   -2.1619079   -1.0135146  0.00   -0.0043283    0.0001820    0.0009700
 H    6.5688020   -1.4991805   -1.7234551  0.00   -0.0020067    0.0018859    0.0031431
 H    6.3269155   -2.5486057   -0.3001912  0.00   -0.0003028    0.0025872    0.0015247
 H    7.4537006   -3.0474056   -1.5549732  0.00   -0.0031590    0.0077434   -0.0018818
 C    8.3530852   -0.1200432   -0.1972759  0.00   -0.0002595    0.0051517    0.0015921
 C    7.3000315    0.8133600   -0.5378107  0.00    0.0004178    0.0009086    0.0015036
 H    7.6258429    1.7951483   -0.8899357  0.00    0.0007656    0.0039142   -0.0030218
 C    5.9515419    0.6404549   -0.3561942  0.00    0.0043453   -0.0004860   -0.0053550
 H    5.5923296   -0.2824930    0.1101633  0.00    0.0052777   -0.0006724   -0.0022751
 C    4.9322733    1.6086668   -0.6894335  0.00   -0.0003473   -0.0036704   -0.0022021
 C    5.3329566    2.8895604   -1.3513248  0.00    0.0074549    0.0012178   -0.0006082
 H    4.4679794    3.4758890   -1.6846314  0.00    0.0075958   -0.0013053    0.0003700
 H    5.9609923    2.6953596   -2.2355011  0.00   -0.0015614   -0.0003176   -0.0043118
 H    5.9274026    3.5228067   -0.6701149  0.00   -0.0016003   -0.0019337   -0.0010450
 C    3.6280045    1.2862096   -0.3854605  0.00    0.0000059   -0.0031594   -0.0053050
 H    3.4557433    0.3128972    0.0912325  0.00    0.0021225    0.0033530    0.0001401
 C    2.4548708    2.0767544   -0.6217273  0.00    0.0000378    0.0008218    0.0004833
 H    2.5770149    3.0602971   -1.0808893  0.00   -0.0014982    0.0008033   -0.0009008
 C    1.1963763    1.6383705   -0.2998095  0.00   -0.0007461   -0.0079111    0.0014951
 H    1.0949534    0.6408135    0.1446668  0.00   -0.0004314    0.0009450    0.0030422
 C   -0.0300958    2.3649484   -0.5004021  0.00    0.0003322   -0.0041260    0.0009630
 C    0.0391746    3.7292527   -1.1089596  0.00    0.0016655   -0.0002723   -0.0071754
 H   -0.9428521    4.2038755   -1.2212751  0.00   -0.0032550   -0.0023312    0.0028208
 H    0.5021977    3.6873485   -2.1093618  0.00    0.0013978   -0.0002582    0.0041554
 H    0.6677578    4.4009350   -0.5002810  0.00    0.0013965   -0.0015358   -0.0016885
 C   -1.2117408    1.7417213   -0.1225277  0.00   -0.0037054    0.0016943   -0.0034363
 H   -1.1552523    0.7340650    0.3029832  0.00   -0.0030234   -0.0006933   -0.0035787
 C   -2.5089582    2.2811570   -0.2404921  0.00   -0.0003407   -0.0012767   -0.0028263
 H   -2.6616000    3.2937815   -0.6299569  0.00   -0.0005024   -0.0003245    0.0010414
 N   -3.6007440    1.6203560    0.0911243  0.00   -0.0039419    0.0033198    0.0040738
 H   -3.4776667    0.6393874    0.4390645  0.00    0.0014009    0.0030491    0.0049489
 C   -4.9344696    2.1671390    0.0326710  0.00    0.0040076   -0.0022332    0.0025977
 H   -4.9168311    3.0745943   -0.5929067  0.00   -0.0019531   -0.0031651   -0.0006215
 H   -5.5826684    1.4324990   -0.4703297  0.00    0.0003822   -0.0041754    0.0033301
 C   -5.4985183    2.4917334    1.4163063  0.00    0.0013841   -0.0021028   -0.0000666
 H   -5.4773557    1.5765958    2.0336491  0.00   -0.0007464   -0.0016018   -0.0042559
 H   -4.8294188    3.2146997    1.9164755  0.00    0.0015177   -0.0021654   -0.0013796
 C   -6.9174181    3.0455580    1.3586957  0.00   -0.0020918   -0.0024172   -0.0055115
 H   -6.9271113    3.9560380    0.7339457  0.00    0.0001426    0.0024419   -0.0011623
 H   -7.5667952    2.3217936    0.8391080  0.00    0.0017386   -0.0027276   -0.0015767
 C   -7.4963191    3.3590649    2.7295200  0.00    0.0000805   -0.0051812    0.0019908
 H   -8.5236103    3.7461760    2.6525886  0.00    0.0066794   -0.0010131   -0.0008987
 H   -7.5321514    2.4582351    3.3633133  0.00    0.0012024    0.0053152    0.0008264
 H   -6.8936957    4.1128575    3.2616572  0.00    0.0007243   -0.0009675    0.0006297
 O   -5.6406663   -1.2039123   -0.8925182  0.00    0.0047935   -0.0028077    0.0031908
 H   -4.8232843   -1.7932973   -0.5629609  0.00   -0.0004530    0.0006706    0.0014766
 C   -6.7827167   -1.6950903   -0.5205379  0.00   -0.0110725   -0.0105314    0.0002061
 O   -7.0045784   -2.6742262    0.1418286  0.00    0.0009115    0.0065904   -0.0016899
 C   -7.9502724   -0.8577616   -1.0899482  0.00   -0.0049023   -0.0061267    0.0012243
 F   -7.7578392    0.4554233   -0.9072740  0.00    0.0005840   -0.0010366   -0.0007320
 F   -8.0746417   -1.0660130   -2.4001543  0.00    0.0000373   -0.0009113    0.0028000
 F   -9.0978585   -1.1802493   -0.5072322  0.00   -0.0002904   -0.0022752   -0.0040580
 O   -2.8245866   -0.8167685    0.9767201  0.00   -0.0002671   -0.0031264   -0.0003574
 C   -2.8414718   -1.9747624    0.5394592  0.00   -0.0035876   -0.0039228   -0.0024199
 O   -3.6806872   -2.5533522   -0.1789573  0.00   -0.0002594    0.0006580    0.0035365
 C   -1.6156208   -2.8254227    0.9535314  0.00   -0.0008261    0.0014871   -0.0026921
 F   -1.5505586   -2.9557604    2.2810091  0.00    0.0008351    0.0004285    0.0015253
 F   -1.6320773   -4.0512924    0.4300783  0.00    0.0005617   -0.0001445    0.0037799
 F   -0.4804460   -2.2344176    0.5532937  0.00   -0.0010802   -0.0062043   -0.0003106
78
 Energy =   -2041.3862876665
 C    8.2114663   -1.4974945   -0.3029936  0.00    0.0001198    0.0058180   -0.0048567
 C    9.2299931   -2.4483641    0.2396806  0.00    0.0042129   -0.0029757   -0.0134303
 C   10.3093007   -1.8117148    1.0933377  0.00    0.0029657    0.0012814    0.0005427
 C   10.7790139   -0.5373417    0.4194242  0.00    0.0043670    0.0052107    0.0012224
 C    9.6633515    0.5118502    0.2946011  0.00   -0.0021004    0.0025225    0.0023847
 C   10.1497856    1.5941291   -0.6844029  0.00    0.0005441   -0.0040131    0.0013505
 H    9.5177662    2.4929534   -0.6798824  0.00   -0.0050593   -0.0026540    0.0004072
 H   10.1951503    1.2136719   -1.7168761  0.00   -0.0001593   -0.0007502    0.0046739
 H   11.1647957    1.9108975   -0.3986680  0.00    0.0009077   -0.0006274    0.0014419
 C    9.4035967    1.1675638    1.6636910  0.00    0.0024009    0.0049150    0.0026640
 H    8.6010494    1.9170685    1.6003710  0.00    0.0014546    0.0023601   -0.0009417
 H   10.3159370    1.6726868    2.0188293  0.00   -0.0020211    0.0037302   -0.0014708
 H    9.1090223    0.4285638    2.4228493  0.00   -0.0045539    0.0005888    0.0012263
 H   11.1560696   -0.7854649   -0.5891349  0.00   -0.0006240   -0.0037044   -0.0018241
 H   11.6246386   -0.0813649    0.9593482  0.00   -0.0013130   -0.0138490    0.0070722
 H    9.9194822   -1.5912799    2.1008135  0.00   -0.0011786    0.0004222   -0.0006249
 H   11.1435933   -2.5162698    1.2328783  0.00   -0.0004106    0.0036085    0.0001062
 H    8.7004484   -3.2527338    0.7845709  0.00   -0.0017541   -0.0006776    0.0026176
 H    9.6857403   -2.9745451   -0.6246984  0.00    0.0007292   -0.0005059   -0.0009686
 C    7.0795736   -2.1606332   -1.0157777  0.00   -0.0024673   -0.0016546    0.0000090
 H    6.5699091   -1.4964993   -1.7249982  0.00   -0.0031451    0.0014713    0.0008784
 H    6.3262977   -2.5479086   -0.3037501  0.00   -0.0026200    0.0012605    0.0034708
 H    7.4542485   -3.0456760   -1.5577630  0.00   -0.0044618    0.0088374   -0.0023175
 C    8.3529786   -0.1198434   -0.1977415  0.00   -0.0020025    0.0040225    0.0016162
 C    7.3000572    0.8140382   -0.5382142  0.00    0.0016565   -0.0028701    0.0019201
 H    7.6256265    1.7959269   -0.8898420  0.00    0.0031816    0.0057230   -0.0046425
 C    5.9515802    0.6412773   -0.3570050  0.00    0.0027689    0.0001560   -0.0052141
 H    5.5921841   -0.2813415    0.1100628  0.00    0.0054342    0.0001316   -0.0035260
 C    4.9322835    1.6094435   -0.6912966  0.00    0.0005269   -0.0049558    0.0023510
 C    5.3327815    2.8896124   -1.3545035  0.00    0.0064450    0.0027417   -0.0002219
 H    4.4676491    3.4757169   -1.6880085  0.00    0.0082400   -0.0021253    0.0002149
 H    5.9604247    2.6943520   -2.2385143  0.00   -0.0003440   -0.0005649   -0.0071002
 H    5.9277279    3.5238308   -0.6745982  0.00   -0.0021200   -0.0028782   -0.0000979
 C    3.6283553    1.2875290   -0.3856283  0.00    0.0003265    0.0004184   -0.0072611
 H    3.4570447    0.3149033    0.0924288  0.00    0.0000592    0.0010341    0.0005842
 C    2.4548191    2.0778316   -0.6216983  0.00   -0.0016383   -0.0005082    0.0019568
 H    2.5763883    3.0617419   -1.0804049  0.00   -0.0012471   -0.0007314   -0.0011252
 C    1.1965265    1.6385110   -0.2999406  0.00   -0.0000535   -0.0060728    0.0004197
 H    1.0958271    0.6409055    0.1447034  0.00   -0.0005370    0.0016370    0.0023934
 C   -0.0306240    2.3640375   -0.5010166  0.00    0.0008114   -0.0029994    0.0011454
 C    0.0372513    3.7283302   -1.1100040  0.00    0.0037733   -0.0017279   -0.0044351
 H   -0.9449663    4.2025676   -1.2220563  0.00   -0.0037226   -0.0031650    0.0025966
 H    0.5000100    3.6859549   -2.1103209  0.00    0.0019670    0.0004316    0.0011626
 H    0.6658352    4.4006807   -0.5020888  0.00    0.0015163   -0.0016742   -0.0011548
 C   -1.2118733    1.7399384   -0.1235374  0.00   -0.0034961    0.0001838   -0.0016873
 H   -1.1549697    0.7322513    0.3018661  0.00   -0.0024807   -0.0007227   -0.0037100
 C   -2.5093081    2.2786730   -0.2412274  0.00   -0.0033020   -0.0036853   -0.0019378
 H   -2.6625547    3.2913854   -0.6300107  0.00   -0.0005615    0.0004525    0.0000068
 N   -3.6009161    1.6171787    0.0901032  0.00    0.0026853    0.0061117    0.0033464
 H   -3.4774354    0.6365486    0.4388305  0.00    0.0011147    0.0030403    0.0036653
 C   -4.9343778    2.1639504    0.0317266  0.00   -0.0018079   -0.0060760    0.0017907
 H   -4.9174451    3.0712493   -0.5939812  0.00   -0.0003520   -0.0026530   -0.0014930
 H   -5.5827251    1.4291004   -0.4709832  0.00    0.0009851   -0.0031186    0.0042540
 C   -5.4979766    2.4890635    1.4152964  0.00   -0.0010434   -0.0024367   -0.0014815
 H   -5.4773432    1.5742083    2.0332347  0.00    0.0002240    0.0001579   -0.0049578
 H   -4.8284714    3.2123751    1.9141028  0.00    0.0027925   -0.0020866    0.0018634
 C   -6.9163937    3.0439595    1.3576691  0.00   -0.0041152   -0.0032648   -0.0052562
 H   -6.9255153    3.9543884    0.7327410  0.00    0.0001432    0.0013967   -0.0009338
 H   -7.5670965    2.3207809    0.8389809  0.00    0.0033965   -0.0036397   -0.0038076
 C   -7.4949864    3.3582447    2.7283461  0.00    0.0013071   -0.0011738   -0.0001523
 H   -8.5216091    3.7468411    2.6504390  0.00    0.0055817   -0.0022477    0.0011007
 H   -7.5315014    2.4578966    3.3626634  0.00    0.0002092    0.0048889    0.0011317
 H   -6.8916090    4.1119724    3.2595206  0.00    0.0012432   -0.0003439    0.0030468
 O   -5.6406429   -1.2078335   -0.8908187  0.00   -0.0017977    0.0002210    0.0033239
 H   -4.8240176   -1.7972391   -0.5595788  0.00    0.0011628    0.0002732   -0.0002456
 C   -6.7835410   -1.6978921   -0.5197066  0.00   -0.0077631   -0.0124870   -0.0008400
 O   -7.0062569   -2.6768088    0.1427609  0.00   -0.0012854    0.0080293   -0.0018069
 C   -7.9503638   -0.8602097   -1.0905001  0.00   -0.0020661   -0.0002687    0.0009193
 F   -7.7571325    0.4531859   -0.9083227  0.00    0.0004879   -0.0045799   -0.0002865
 F   -8.0740901   -1.0686017   -2.4006869  0.00    0.0009678   -0.0024649    0.0024016
 F   -9.0985570   -1.1814084   -0.5085579  0.00   -0.0011621   -0.0037192   -0.0024883
 O   -2.8234461   -0.8191972    0.9771957  0.00   -0.0010031    0.0052724    0.0029780
 C   -2.8419823   -1.9776530    0.5420003  0.00    0.0008503   -0.0113027   -0.0015285
 O   -3.6816957   -2.5565153   -0.1753667  0.00   -0.0047264   -0.0023729    0.0013296
 C   -1.6171358   -2.8292546    0.9570144  0.00    0.0025007   -0.0059098   -0.0035719
 F   -1.5499298   -2.9564198    2.2846930  0.00   -0.0014040    0.0014732    0.0013818
 F   -1.6359469   -4.0567451    0.4367851  0.00   -0.0024622    0.0023371    0.0050207
 F   -0.4816358   -2.2416990    0.5534266  0.00    0.0021553   -0.0021381   -0.0014066
78
 Energy =   -2041.3863125683
 C    8.2110435   -1.4972994   -0.3039882  0.00   -0.0030373    0.0107211   -0.0036892
 C    9.2282714   -2.4485538    0.2400681  0.00    0.0031547   -0.0079440   -0.0100466
 C   10.3074073   -1.8122208    1.0941950  0.00    0.0019835    0.0035020    0.0027764
 C   10.7784724   -0.5381968    0.4204332  0.00    0.0012174    0.0052470   -0.0033660
 C    9.6632755    0.5115619    0.2950584  0.00   -0.0024075    0.0009055    0.0025323
 C   10.1505863    1.5938641   -0.6833550  0.00    0.0038920   -0.0072580    0.0009030
 H    9.5200181    2.4933135   -0.6771565  0.00   -0.0089931    0.0010935   -0.0013735
 H   10.1952436    1.2142801   -1.7162616  0.00   -0.0004761    0.0002026    0.0059259
 H   11.1659498    1.9093434   -0.3975531  0.00    0.0018948   -0.0011756    0.0012311
 C    9.4027906    1.1673511    1.6638786  0.00    0.0064356    0.0055914    0.0006463
 H    8.6013884    1.9178620    1.5993008  0.00    0.0004614    0.0028306    0.0003494
 H   10.3157385    1.6713475    2.0194490  0.00   -0.0045353    0.0026943   -0.0002629
 H    9.1065085    0.4283081    2.4221810  0.00   -0.0046193    0.0011104    0.0036094
 H   11.1556317   -0.7857497   -0.5884113  0.00   -0.0011794   -0.0055354    0.0011728
 H   11.6241472   -0.0827336    0.9604613  0.00   -0.0003148   -0.0130457    0.0086705
 H    9.9167274   -1.5910316    2.1014149  0.00    0.0005354   -0.0002876   -0.0037077
 H   11.1409956   -2.5172770    1.2347990  0.00    0.0005320    0.0029277    0.0001686
 H    8.6976185   -3.2522075    0.7857368  0.00    0.0002829    0.0036200   -0.0008884
 H    9.6842683   -2.9761834   -0.6232620  0.00    0.0006193   -0.0003662   -0.0015822
 C    7.0793585   -2.1593842   -1.0181320  0.00   -0.0021209    0.0009945   -0.0020252
 H    6.5702681   -1.4941122   -1.7267644  0.00   -0.0022581    0.0009439    0.0007985
 H    6.3252656   -2.5471928   -0.3074825  0.00   -0.0031552    0.0002774    0.0057947
 H    7.4540156   -3.0437289   -1.5610949  0.00   -0.0037312    0.0075126   -0.0027781
 C    8.3528498   -0.1195137   -0.1979716  0.00   -0.0003476    0.0017458    0.0012916
 C    7.3003609    0.8149179   -0.5384000  0.00    0.0043771    0.0018309   -0.0035582
 H    7.6261203    1.7969903   -0.8907386  0.00    0.0018530   -0.0009674   -0.0017572
 C    5.9518803    0.6421317   -0.3581104  0.00   -0.0010306   -0.0006639   -0.0022533
 H    5.5921389   -0.2800594    0.1099062  0.00    0.0068931    0.0014862   -0.0052535
 C    4.9324437    1.6099832   -0.6933432  0.00    0.0025821   -0.0007595    0.0038015
 C    5.3329543    2.8897035   -1.3578441  0.00    0.0031493   -0.0037121   -0.0023626
 H    4.4675972    3.4751128   -1.6913983  0.00    0.0055043   -0.0001792   -0.0009218
 H    5.9596348    2.6933403   -2.2422739  0.00    0.0009460    0.0000321   -0.0065611
 H    5.9278167    3.5247866   -0.6790803  0.00    0.0007408   -0.0017822    0.0021967
 C    3.6287865    1.2888434   -0.3859188  0.00    0.0011428    0.0049881   -0.0087070
 H    3.4586483    0.3170372    0.0937142  0.00   -0.0027662   -0.0022867    0.0011923
 C    2.4547313    2.0789298   -0.6214736  0.00   -0.0021294   -0.0032101    0.0021813
 H    2.5753551    3.0632113   -1.0799472  0.00   -0.0005645   -0.0031641   -0.0007166
 C    1.1967027    1.6382934   -0.3000386  0.00    0.0003247    0.0019626   -0.0012354
 H    1.0965442    0.6410835    0.1450278  0.00   -0.0002492   -0.0021779    0.0030666
 C   -0.0310379    2.3629148   -0.5015581  0.00    0.0013968   -0.0020088   -0.0012850
 C    0.0352504    3.7272681   -1.1113157  0.00    0.0035212   -0.0055699    0.0063670
 H   -0.9477612    4.2002219   -1.2220827  0.00   -0.0017383   -0.0024167    0.0005276
 H    0.4978834    3.6849977   -2.1112203  0.00    0.0024430    0.0000413   -0.0059121
 H    0.6638343    4.4001816   -0.5040201  0.00    0.0006405   -0.0012023   -0.0003935
 C   -1.2120423    1.7380287   -0.1246394  0.00   -0.0030886   -0.0013476   -0.0015007
 H   -1.1556079    0.7302181    0.3003805  0.00    0.0004184   -0.0017466   -0.0028116
 C   -2.5096271    2.2759677   -0.2423493  0.00   -0.0058848   -0.0003298   -0.0001285
 H   -2.6633681    3.2889434   -0.6302607  0.00   -0.0009859   -0.0002788   -0.0011757
 N   -3.6009130    1.6141337    0.0894616  0.00    0.0059768    0.0095428    0.0004197
 H   -3.4768803    0.6339167    0.4387621  0.00    0.0001272    0.0008856    0.0036457
 C   -4.9343958    2.1604760    0.0308841  0.00   -0.0063264   -0.0130773   -0.0000094
 H   -4.9187762    3.0673163   -0.5952765  0.00    0.0022342   -0.0010145   -0.0027477
 H   -5.5824874    1.4249137   -0.4713626  0.00    0.0017457   -0.0020561    0.0052387
 C   -5.4976351    2.4860981    1.4141719  0.00   -0.0011318    0.0030117   -0.0006602
 H   -5.4776426    1.5717635    2.0328428  0.00    0.0008394   -0.0001362   -0.0051774
 H   -4.8269882    3.2095003    1.9117661  0.00   -0.0008489   -0.0041369    0.0028132
 C   -6.9157297    3.0421415    1.3562879  0.00   -0.0016420   -0.0007368   -0.0006776
 H   -6.9241844    3.9528086    0.7313358  0.00    0.0000218   -0.0021196    0.0002856
 H   -7.5672861    2.3193474    0.8382384  0.00    0.0036095   -0.0039717   -0.0048540
 C   -7.4935460    3.3573937    2.7272503  0.00    0.0046143    0.0038109   -0.0036476
 H   -8.5195549    3.7470233    2.6490284  0.00    0.0023616   -0.0018720    0.0022715
 H   -7.5303528    2.4581015    3.3625705  0.00   -0.0007845    0.0002303    0.0018297
 H   -6.8894018    4.1110042    3.2577671  0.00    0.0012481    0.0000673    0.0022075
 O   -5.6406638   -1.2119877   -0.8886436  0.00   -0.0109941    0.0025521    0.0020607
 H   -4.8244270   -1.8013783   -0.5559399  0.00   -0.0002164    0.0000142   -0.0013807
 C   -6.7846931   -1.7011548   -0.5189424  0.00    0.0031538    0.0000011   -0.0072551
 O   -7.0083254   -2.6792631    0.1437589  0.00   -0.0064246   -0.0052221    0.0062316
 C   -7.9506482   -0.8629441   -1.0910080  0.00    0.0043385   -0.0006410   -0.0011666
 F   -7.7561263    0.4502925   -0.9092434  0.00   -0.0018000   -0.0035228    0.0012086
 F   -8.0735642   -1.0714783   -2.4011840  0.00    0.0009029   -0.0034757    0.0003534
 F   -9.0993997   -1.1832676   -0.5100057  0.00   -0.0028793   -0.0028097   -0.0005543
 O   -2.8229374   -0.8216193    0.9778521  0.00    0.0000733    0.0021514    0.0020416
 C   -2.8427807   -1.9808380    0.5445976  0.00    0.0031937   -0.0087115    0.0015492
 O   -3.6832813   -2.5600269   -0.1714892  0.00   -0.0046653   -0.0047481    0.0009066
 C   -1.6187956   -2.8334480    0.9604296  0.00    0.0010422   -0.0056561    0.0029711
 F   -1.5498597   -2.9568121    2.2886661  0.00   -0.0020551    0.0028162   -0.0030130
 F   -1.6408020   -4.0623686    0.4442056  0.00   -0.0037846   -0.0017728    0.0031200
 F   -0.4827711   -2.2498314    0.5534221  0.00    0.0042914    0.0010356   -0.0022287
78
 Energy =   -2041.3863453742
 C    8.2105536   -1.4965682   -0.3057011  0.00    0.0003091   -0.0041860    0.0014090
 C    9.2268564   -2.4492161    0.2401101  0.00   -0.0040589    0.0007616   -0.0042974
 C   10.3055218   -1.8124360    1.0953030  0.00   -0.0028887    0.0012258   -0.0026290
 C   10.7782270   -0.5389817    0.4214423  0.00   -0.0061088    0.0015609   -0.0028763
 C    9.6632842    0.5111676    0.2959232  0.00    0.0008733    0.0010686    0.0011553
 C   10.1519017    1.5930639   -0.6817452  0.00    0.0001824    0.0013124    0.0014596
 H    9.5223901    2.4933954   -0.6751778  0.00   -0.0085450   -0.0003063   -0.0008860
 H   10.1959981    1.2147369   -1.7147405  0.00    0.0008518   -0.0030323    0.0005700
 H   11.1673001    1.9074878   -0.3955067  0.00    0.0045172   -0.0009651    0.0013057
 C    9.4021722    1.1676130    1.6641228  0.00   -0.0024962   -0.0022913    0.0028090
 H    8.6017562    1.9192104    1.5979063  0.00    0.0012854    0.0007726    0.0014821
 H   10.3149749    1.6707588    2.0202488  0.00   -0.0003641    0.0033924    0.0030204
 H    9.1034309    0.4281630    2.4217073  0.00   -0.0015360    0.0085115    0.0011640
 H   11.1546606   -0.7863989   -0.5877986  0.00   -0.0000093   -0.0065000    0.0037766
 H   11.6241153   -0.0848181    0.9619891  0.00    0.0005357   -0.0104918    0.0082275
 H    9.9134784   -1.5905424    2.1018149  0.00    0.0007554    0.0004923   -0.0036329
 H   11.1381527   -2.5178930    1.2375994  0.00    0.0040108    0.0004593    0.0003604
 H    8.6946286   -3.2514033    0.7870750  0.00    0.0016741    0.0074004   -0.0043917
 H    9.6833497   -2.9788911   -0.6214160  0.00    0.0008492   -0.0000257   -0.0046210
 C    7.0787537   -2.1577185   -1.0209976  0.00   -0.0049038    0.0050064   -0.0019412
 H    6.5699888   -1.4912193   -1.7288056  0.00   -0.0008990    0.0008943    0.0006769
 H    6.3233302   -2.5460910   -0.3117871  0.00    0.0010333    0.0009257    0.0059792
 H    7.4527449   -3.0412011   -1.5655649  0.00   -0.0015345    0.0055740   -0.0023702
 C    8.3529298   -0.1191173   -0.1982592  0.00    0.0011918    0.0065409    0.0004375
 C    7.3012104    0.8161108   -0.5390027  0.00    0.0018899    0.0060010   -0.0085801
 H    7.6271339    1.7983078   -0.8924282  0.00    0.0003805   -0.0086622    0.0019643
 C    5.9524971    0.6431029   -0.3597158  0.00    0.0004344    0.0009077    0.0000958
 H    5.5928166   -0.2785031    0.1096459  0.00    0.0072066    0.0018202   -0.0066029
 C    4.9329857    1.6105295   -0.6960158  0.00    0.0017152    0.0030087    0.0059284
 C    5.3334473    2.8896985   -1.3617859  0.00    0.0034618   -0.0061906   -0.0072688
 H    4.4680095    3.4744709   -1.6956689  0.00    0.0017020    0.0013775   -0.0013520
 H    5.9592135    2.6926590   -2.2470123  0.00    0.0008355    0.0006213   -0.0018263
 H    5.9279402    3.5259940   -0.6838711  0.00    0.0023701   -0.0030744    0.0019286
 C    3.6294710    1.2905503   -0.3864781  0.00   -0.0014338    0.0002107   -0.0052329
 H    3.4598321    0.3194642    0.0953052  0.00   -0.0019125   -0.0000089   -0.0015301
 C    2.4544151    2.0797595   -0.6211166  0.00    0.0030680    0.0001497   -0.0014851
 H    2.5735656    3.0644786   -1.0794776  0.00    0.0004931   -0.0061514   -0.0004253
 C    1.1967938    1.6377925   -0.3001588  0.00   -0.0018719    0.0009610    0.0031300
 H    1.0970649    0.6410694    0.1462842  0.00    0.0009804   -0.0019912    0.0007015
 C   -0.0314763    2.3613019   -0.5022434  0.00   -0.0002323   -0.0022395   -0.0031931
 C    0.0331846    3.7255027   -1.1125105  0.00    0.0030986   -0.0053449    0.0041376
 H   -0.9511001    4.1965411   -1.2217493  0.00    0.0029988   -0.0011948   -0.0018913
 H    0.4957637    3.6840311   -2.1127509  0.00   -0.0019981   -0.0011975   -0.0033710
 H    0.6616022    4.3994095   -0.5063422  0.00    0.0004147   -0.0002428    0.0023880
 C   -1.2125216    1.7357839   -0.1261719  0.00    0.0005809   -0.0039939   -0.0014534
 H   -1.1566526    0.7276451    0.2981920  0.00    0.0030735   -0.0015277   -0.0019213
 C   -2.5102621    2.2729555   -0.2438806  0.00   -0.0036013    0.0065726    0.0017617
 H   -2.6647672    3.2861899   -0.6308442  0.00   -0.0010234   -0.0012597   -0.0030960
 N   -3.6007400    1.6109684    0.0893055  0.00   -0.0017410    0.0068770   -0.0005771
 H   -3.4759460    0.6313118    0.4397980  0.00   -0.0006803   -0.0000151    0.0021693
 C   -4.9349916    2.1559994    0.0300354  0.00    0.0007150   -0.0139602   -0.0019161
 H   -4.9204857    3.0622246   -0.5971068  0.00    0.0031285   -0.0019418   -0.0028594
 H   -5.5820413    1.4191387   -0.4711084  0.00   -0.0007115   -0.0042829    0.0030231
 C   -5.4976588    2.4826841    1.4127942  0.00   -0.0002678    0.0030922   -0.0011494
 H   -5.4783320    1.5687837    2.0321081  0.00    0.0005257   -0.0000851   -0.0050063
 H   -4.8252980    3.2053788    1.9089531  0.00   -0.0033209   -0.0021160    0.0056098
 C   -6.9152026    3.0399226    1.3545539  0.00    0.0003337    0.0010106    0.0031470
 H   -6.9230672    3.9510432    0.7299015  0.00    0.0000079   -0.0066039    0.0001760
 H   -7.5673901    2.3170458    0.8371131  0.00    0.0043321   -0.0009684   -0.0039351
 C   -7.4914576    3.3564542    2.7257570  0.00    0.0018985    0.0049578    0.0014507
 H   -8.5170132    3.7467625    2.6484156  0.00   -0.0017126    0.0003941    0.0008679
 H   -7.5292938    2.4585118    3.3628421  0.00    0.0010063   -0.0028892   -0.0003971
 H   -6.8867720    4.1100000    3.2557893  0.00    0.0025368    0.0003870    0.0000099
 O   -5.6412879   -1.2166079   -0.8859252  0.00   -0.0070823   -0.0000149    0.0025651
 H   -4.8249188   -1.8061751   -0.5515517  0.00   -0.0043535    0.0016007   -0.0035765
 C   -6.7861307   -1.7050393   -0.5181637  0.00   -0.0013552    0.0052684   -0.0049018
 O   -7.0121742   -2.6821803    0.1450162  0.00   -0.0027775   -0.0110472    0.0078915
 C   -7.9510739   -0.8663188   -1.0915748  0.00    0.0020861   -0.0082125   -0.0004435
 F   -7.7561984    0.4464743   -0.9095619  0.00   -0.0014794    0.0028101    0.0004989
 F   -8.0730432   -1.0753376   -2.4016934  0.00    0.0015786   -0.0017091   -0.0026697
 F   -9.1007636   -1.1862500   -0.5117803  0.00   -0.0006046   -0.0015709   -0.0004311
 O   -2.8223481   -0.8247009    0.9787830  0.00    0.0018997   -0.0105664   -0.0030701
 C   -2.8434101   -1.9849958    0.5475690  0.00   -0.0025196   -0.0004582    0.0028984
 O   -3.6853643   -2.5647728   -0.1667950  0.00    0.0008059   -0.0005350    0.0046720
 C   -1.6206154   -2.8388827    0.9645630  0.00   -0.0031851    0.0048707    0.0025864
 F   -1.5503701   -2.9565343    2.2931522  0.00    0.0008796    0.0013110   -0.0021812
 F   -1.6476011   -4.0695684    0.4535830  0.00    0.0003534   -0.0055138    0.0014304
 F   -0.4836263   -2.2596587    0.5532334  0.00   -0.0004670   -0.0039612   -0.0007170
78
 Energy =   -2041.3863709028
 C    8.2099142   -1.4960720   -0.3070347  0.00    0.0016307   -0.0065699    0.0026694
 C    9.2249957   -2.4497962    0.2401591  0.00   -0.0040720    0.0109429   -0.0041770
 C   10.3033324   -1.8129571    1.0960083  0.00   -0.0022749   -0.0002493   -0.0063855
 C   10.7774987   -0.5398604    0.4222526  0.00   -0.0045174    0.0005578    0.0011999
 C    9.6632805    0.5108908    0.2966379  0.00   -0.0014434    0.0025315    0.0012632
 C   10.1530075    1.5924347   -0.6805073  0.00   -0.0010462    0.0056464    0.0001693
 H    9.5243856    2.4935199   -0.6744101  0.00   -0.0083288   -0.0020500   -0.0000191
 H   10.1972655    1.2144289   -1.7134953  0.00    0.0015590   -0.0040602   -0.0010736
 H   11.1683569    1.9059557   -0.3935718  0.00    0.0065759   -0.0002587    0.0011783
 C    9.4011803    1.1676647    1.6645238  0.00   -0.0047331   -0.0024250    0.0032774
 H    8.6018517    1.9206060    1.5971619  0.00    0.0031689   -0.0020346    0.0014554
 H   10.3140238    1.6697450    2.0221500  0.00   -0.0004481    0.0020693    0.0030136
 H    9.0999812    0.4281976    2.4212472  0.00   -0.0005416    0.0105267    0.0014133
 H   11.1539070   -0.7866598   -0.5871254  0.00    0.0003745   -0.0084881    0.0042694
 H   11.6238362   -0.0868810    0.9634946  0.00   -0.0023756   -0.0104157    0.0063265
 H    9.9106116   -1.5901846    2.1018712  0.00   -0.0006343    0.0010288   -0.0012642
 H   11.1351160   -2.5190726    1.2397940  0.00    0.0050359    0.0008014   -0.0002776
 H    8.6915516   -3.2503764    0.7875956  0.00   -0.0011973    0.0034450   -0.0021825
 H    9.6821060   -2.9809501   -0.6198790  0.00    0.0005994   -0.0002567   -0.0075538
 C    7.0780108   -2.1558649   -1.0236813  0.00   -0.0039120    0.0055275   -0.0016590
 H    6.5699237   -1.4876857   -1.7302572  0.00   -0.0013163    0.0010928   -0.0011268
 H    6.3217292   -2.5447117   -0.3155998  0.00    0.0024423    0.0005054    0.0064278
 H    7.4513227   -3.0386550   -1.5699747  0.00   -0.0008370    0.0063174   -0.0009288
 C    8.3529956   -0.1186336   -0.1986763  0.00   -0.0003058    0.0058319   -0.0012145
 C    7.3018243    0.8172192   -0.5401195  0.00   -0.0009979   -0.0003080   -0.0055396
 H    7.6278928    1.7992785   -0.8932271  0.00    0.0016618   -0.0062142    0.0003013
 C    5.9529575    0.6439865   -0.3611890  0.00    0.0037152    0.0037699    0.0003978
 H    5.5936590   -0.2771894    0.1093032  0.00    0.0064127    0.0018005   -0.0074853
 C    4.9334363    1.6111809   -0.6983631  0.00   -0.0001768    0.0013463    0.0080037
 C    5.3339013    2.8894156   -1.3655838  0.00    0.0040286    0.0001647   -0.0092287
 H    4.4684341    3.4742292   -1.6996542  0.00    0.0015796    0.0000848   -0.0006087
 H    5.9590443    2.6919777   -2.2513569  0.00    0.0004350   -0.0000573    0.0012662
 H    5.9285407    3.5267547   -0.6883621  0.00    0.0011996   -0.0061147   -0.0006428
 C    3.6300537    1.2920961   -0.3870692  0.00   -0.0035119   -0.0050372   -0.0008833
 H    3.4604549    0.3216988    0.0967597  0.00    0.0003311    0.0030584   -0.0045268
 C    2.4542685    2.0805014   -0.6210170  0.00    0.0009646   -0.0039238   -0.0001712
 H    2.5721860    3.0651774   -1.0791025  0.00    0.0017533   -0.0017290   -0.0035665
 C    1.1968562    1.6373194   -0.3001953  0.00    0.0004664    0.0005756    0.0043570
 H    1.0978384    0.6408808    0.1473215  0.00    0.0015206   -0.0008725   -0.0013333
 C   -0.0319530    2.3597098   -0.5030597  0.00   -0.0017063   -0.0049770   -0.0011197
 C    0.0315708    3.7235754   -1.1135104  0.00    0.0037018   -0.0013451   -0.0041249
 H   -0.9534536    4.1934882   -1.2221571  0.00    0.0056314   -0.0009895   -0.0027329
 H    0.4938543    3.6822329   -2.1143578  0.00   -0.0056495   -0.0012559    0.0020615
 H    0.6598378    4.3985722   -0.5084765  0.00    0.0004513   -0.0005957    0.0039492
 C   -1.2129836    1.7335371   -0.1276498  0.00    0.0025046   -0.0014519   -0.0017332
 H   -1.1567606    0.7252347    0.2961050  0.00    0.0029853   -0.0024965   -0.0008407
 C   -2.5110491    2.2703047   -0.2448987  0.00    0.0026577    0.0056226    0.0022834
 H   -2.6665251    3.2835751   -0.6312249  0.00   -0.0003654   -0.0009044   -0.0046851
 N   -3.6007251    1.6077525    0.0890108  0.00   -0.0061381    0.0023270    0.0013158
 H   -3.4752977    0.6287008    0.4410685  0.00   -0.0001944    0.0003711   -0.0004772
 C   -4.9354117    2.1516307    0.0291114  0.00    0.0040464   -0.0119886   -0.0027906
 H   -4.9210043    3.0574726   -0.5986481  0.00    0.0015722   -0.0031760   -0.0035600
 H   -5.5819109    1.4137997   -0.4710136  0.00   -0.0018051   -0.0049514    0.0010689
 C   -5.4976056    2.4795115    1.4114592  0.00    0.0026429    0.0010242   -0.0015950
 H   -5.4784748    1.5659064    2.0312825  0.00   -0.0002910    0.0009063   -0.0045602
 H   -4.8240641    3.2018344    1.9062263  0.00   -0.0033501   -0.0002875    0.0084876
 C   -6.9143928    3.0378515    1.3532053  0.00   -0.0019289    0.0003232    0.0037706
 H   -6.9217817    3.9491093    0.7287109  0.00    0.0002470   -0.0081587   -0.0011455
 H   -7.5673182    2.3150309    0.8362749  0.00    0.0051333    0.0016486   -0.0028742
 C   -7.4894218    3.3555949    2.7244454  0.00   -0.0011949    0.0048839    0.0040562
 H   -8.5144146    3.7470155    2.6474998  0.00   -0.0047868    0.0007185    0.0003418
 H   -7.5280564    2.4584904    3.3626367  0.00    0.0015166   -0.0038664   -0.0012549
 H   -6.8842910    4.1091017    3.2537370  0.00    0.0052744    0.0015467    0.0003613
 O   -5.6423656   -1.2209192   -0.8834786  0.00    0.0005522   -0.0006213    0.0023741
 H   -4.8263071   -1.8105808   -0.5475607  0.00   -0.0043286    0.0024693   -0.0052726
 C   -6.7876776   -1.7085890   -0.5173727  0.00   -0.0114972   -0.0039577    0.0062930
 O   -7.0158338   -2.6852336    0.1463416  0.00    0.0026122   -0.0036031    0.0014727
 C   -7.9515668   -0.8696859   -1.0921190  0.00   -0.0033321   -0.0069169   -0.0004098
 F   -7.7568885    0.4432140   -0.9100903  0.00   -0.0000495    0.0016547   -0.0007690
 F   -8.0721227   -1.0792410   -2.4022722  0.00    0.0015687   -0.0003396   -0.0032980
 F   -9.1022023   -1.1889911   -0.5135348  0.00    0.0021221   -0.0017556   -0.0017237
 O   -2.8210406   -0.8278888    0.9796899  0.00    0.0016046   -0.0072032   -0.0028226
 C   -2.8438146   -1.9887735    0.5504743  0.00   -0.0050533   -0.0039293   -0.0002496
 O   -3.6869173   -2.5688987   -0.1624770  0.00    0.0004862    0.0019891    0.0062879
 C   -1.6222791   -2.8437167    0.9684330  0.00   -0.0022335    0.0036148    0.0006500
 F   -1.5502767   -2.9560018    2.2972570  0.00    0.0021465    0.0001239   -0.0004205
 F   -1.6534672   -4.0765371    0.4623914  0.00    0.0017379   -0.0024866    0.0030775
 F   -0.4844545   -2.2689665    0.5528995  0.00   -0.0032785   -0.0062972   -0.0009261
78
 Energy =   -2041.3864045832
 C    8.2090775   -1.4955889   -0.3082481  0.00   -0.0027466    0.0048644   -0.0021719
 C    9.2223888   -2.4499380    0.2399138  0.00    0.0027867    0.0097875   -0.0073975
 C   10.3005993   -1.8138237    1.0961720  0.00    0.0026025   -0.0004886   -0.0031643
 C   10.7761201   -0.5409003    0.4231451  0.00    0.0036188    0.0020352    0.0040008
 C    9.6630880    0.5108587    0.2974880  0.00   -0.0062561    0.0041862    0.0002253
 C   10.1541829    1.5919714   -0.6794308  0.00    0.0011527    0.0011668   -0.0028248
 H    9.5264162    2.4935990   -0.6746388  0.00   -0.0089547   -0.0019885    0.0003894
 H   10.1993408    1.2126774   -1.7121640  0.00    0.0014685   -0.0011308    0.0020461
 H   11.1695743    1.9042138   -0.3914338  0.00    0.0071187    0.0014494    0.0005362
 C    9.3995648    1.1676719    1.6652147  0.00   -0.0001554    0.0017391    0.0028748
 H    8.6018353    1.9222981    1.5968735  0.00    0.0034717   -0.0028837   -0.0000559
 H   10.3125844    1.6682863    2.0255871  0.00   -0.0045189   -0.0019420    0.0003320
 H    9.0948271    0.4285108    2.4205548  0.00    0.0000652    0.0084161    0.0043208
 H   11.1534719   -0.7868815   -0.5861628  0.00   -0.0012940   -0.0095557    0.0051023
 H   11.6229432   -0.0894490    0.9654614  0.00   -0.0062124   -0.0105857    0.0044537
 H    9.9075369   -1.5899717    2.1016018  0.00   -0.0016323   -0.0000199   -0.0000702
 H   11.1320458   -2.5205227    1.2412970  0.00    0.0011710    0.0036279   -0.0019753
 H    8.6875434   -3.2488980    0.7874634  0.00   -0.0039650   -0.0025008    0.0010690
 H    9.6803162   -2.9827142   -0.6189086  0.00   -0.0025048    0.0015313   -0.0068628
 C    7.0768321   -2.1533334   -1.0266357  0.00    0.0014603    0.0040913   -0.0007147
 H    6.5695840   -1.4829571   -1.7314371  0.00   -0.0026318    0.0017590   -0.0037029
 H    6.3202593   -2.5427145   -0.3194171  0.00    0.0007175   -0.0011378    0.0076829
 H    7.4491138   -3.0353571   -1.5751716  0.00   -0.0003285    0.0080618    0.0011577
 C    8.3529202   -0.1178742   -0.1992533  0.00   -0.0017994   -0.0009952   -0.0025909
 C    7.3023167    0.8183785   -0.5418156  0.00   -0.0015138   -0.0097289    0.0019549
 H    7.6290064    1.8001441   -0.8935832  0.00    0.0029592    0.0012825   -0.0044517
 C    5.9534598    0.6449924   -0.3627817  0.00    0.0050210    0.0054132    0.0003862
 H    5.5947720   -0.2759392    0.1086736  0.00    0.0054056    0.0023105   -0.0082142
 C    4.9338721    1.6118645   -0.7007033  0.00   -0.0033214   -0.0014905    0.0077783
 C    5.3346816    2.8888005   -1.3700674  0.00    0.0004566    0.0068795   -0.0068975
 H    4.4691288    3.4740879   -1.7037573  0.00    0.0033933   -0.0017564    0.0001946
 H    5.9588501    2.6906712   -2.2564011  0.00    0.0006055   -0.0015431    0.0025969
 H    5.9300486    3.5266014   -0.6935481  0.00    0.0000542   -0.0078961   -0.0036043
 C    3.6305712    1.2933698   -0.3878285  0.00   -0.0007439   -0.0037257    0.0019058
 H    3.4610150    0.3242651    0.0982822  0.00    0.0023456   -0.0004640   -0.0048037
 C    2.4542018    2.0809225   -0.6209767  0.00   -0.0002424   -0.0005748   -0.0026257
 H    2.5713583    3.0656461   -1.0790853  0.00    0.0015451   -0.0010162   -0.0047425
 C    1.1970626    1.6367852   -0.3001595  0.00    0.0015025   -0.0055700    0.0054614
 H    1.0991854    0.6402788    0.1481124  0.00    0.0012577    0.0027883   -0.0036081
 C   -0.0324728    2.3576073   -0.5040946  0.00   -0.0014439   -0.0029839    0.0011478
 C    0.0302874    3.7211994   -1.1148277  0.00    0.0029795    0.0000281   -0.0081573
 H   -0.9550906    4.1902705   -1.2234905  0.00    0.0050329   -0.0001144   -0.0025964
 H    0.4917467    3.6790473   -2.1161245  0.00   -0.0053992   -0.0001162    0.0034615
 H    0.6584211    4.3971984   -0.5107993  0.00    0.0006846   -0.0013967    0.0040202
 C   -1.2133481    1.7308071   -0.1293094  0.00    0.0023815   -0.0000324    0.0000995
 H   -1.1558038    0.7221603    0.2936377  0.00   -0.0000672   -0.0010742   -0.0003843
 C   -2.5118752    2.2674075   -0.2455069  0.00    0.0061112   -0.0032708    0.0022924
 H   -2.6686034    3.2805588   -0.6315444  0.00    0.0009540   -0.0007144   -0.0052519
 N   -3.6009289    1.6037921    0.0886784  0.00    0.0020405   -0.0001203    0.0013769
 H   -3.4747409    0.6254613    0.4423713  0.00    0.0010607   -0.0004997   -0.0027601
 C   -4.9355538    2.1464222    0.0278508  0.00    0.0009002   -0.0074231   -0.0000840
 H   -4.9204230    3.0520110   -0.6000858  0.00   -0.0020302   -0.0032031   -0.0064047
 H   -5.5819816    1.4077745   -0.4712143  0.00   -0.0012010   -0.0035497   -0.0001259
 C   -5.4971629    2.4759339    1.4099137  0.00   -0.0017350   -0.0037004   -0.0028961
 H   -5.4781489    1.5627012    2.0303713  0.00   -0.0009233    0.0020659   -0.0039404
 H   -4.8232712    3.1981664    1.9032188  0.00    0.0020140    0.0038767    0.0127332
 C   -6.9133326    3.0355125    1.3520159  0.00   -0.0023116   -0.0015865    0.0027190
 H   -6.9200404    3.9465076    0.7273730  0.00    0.0004597   -0.0066954   -0.0030761
 H   -7.5668353    2.3130252    0.8351982  0.00    0.0042101    0.0026610   -0.0010407
 C   -7.4872407    3.3547675    2.7232961  0.00   -0.0022364    0.0028650    0.0036213
 H   -8.5115047    3.7478349    2.6464869  0.00   -0.0072773   -0.0008284    0.0005707
 H   -7.5262441    2.4581024    3.3621602  0.00    0.0002240   -0.0027017   -0.0014021
 H   -6.8814831    4.1081768    3.2516773  0.00    0.0083846    0.0025170    0.0012458
 O   -5.6441645   -1.2258053   -0.8806832  0.00    0.0016614   -0.0002216    0.0010315
 H   -4.8290166   -1.8154182   -0.5432938  0.00   -0.0005974    0.0028103   -0.0059642
 C   -6.7901347   -1.7128621   -0.5163373  0.00   -0.0132923   -0.0127852    0.0184592
 O   -7.0197469   -2.6890260    0.1481038  0.00    0.0050859    0.0052038   -0.0062147
 C   -7.9525205   -0.8738685   -1.0929329  0.00   -0.0053663    0.0009013   -0.0009971
 F   -7.7580045    0.4394793   -0.9112887  0.00    0.0011989   -0.0045831   -0.0014588
 F   -8.0706566   -1.0840225   -2.4031709  0.00   -0.0006945   -0.0002711   -0.0032942
 F   -9.1040399   -1.1921918   -0.5157467  0.00    0.0010098   -0.0030863   -0.0034547
 O   -2.8190817   -0.8314895    0.9808643  0.00   -0.0005424    0.0088169    0.0021833
 C   -2.8444830   -1.9926733    0.5538678  0.00   -0.0017218   -0.0151404   -0.0049232
 O   -3.6886413   -2.5727350   -0.1576843  0.00   -0.0050313   -0.0002042    0.0042565
 C   -1.6243715   -2.8487752    0.9726369  0.00    0.0021495   -0.0085382   -0.0001774
 F   -1.5493628   -2.9549786    2.3016456  0.00    0.0005548   -0.0011159    0.0031189
 F   -1.6597733   -4.0843219    0.4724135  0.00   -0.0010252    0.0024820    0.0052302
 F   -0.4857202   -2.2800321    0.5519916  0.00   -0.0013224   -0.0011947   -0.0039563
78
 Energy =   -2041.3864343404
 C    8.2081882   -1.4946738   -0.3096223  0.00   -0.0052873    0.0091059   -0.0059038
 C    9.2203759   -2.4494335    0.2389391  0.00    0.0022773   -0.0029094   -0.0036556
 C   10.2986510   -1.8143982    1.0958456  0.00    0.0003214    0.0016130    0.0025566
 C   10.7750191   -0.5415217    0.4240880  0.00    0.0010839    0.0021771    0.0007636
 C    9.6625727    0.5112430    0.2983668  0.00   -0.0008935    0.0000844   -0.0007321
 C   10.1554748    1.5916184   -0.6784750  0.00    0.0066455   -0.0039456   -0.0022358
 H    9.5281578    2.4934035   -0.6749972  0.00   -0.0088390    0.0001114   -0.0009808
 H   10.2018963    1.2101834   -1.7105288  0.00    0.0005636    0.0028156    0.0033973
 H   11.1712779    1.9026799   -0.3895129  0.00    0.0018259    0.0019666   -0.0005947
 C    9.3978930    1.1679340    1.6660138  0.00    0.0028763    0.0009193   -0.0008073
 H    8.6020785    1.9239595    1.5962070  0.00   -0.0011585    0.0008874   -0.0010735
 H   10.3106834    1.6672739    2.0289955  0.00   -0.0046478   -0.0050749   -0.0005019
 H    9.0890474    0.4290911    2.4197355  0.00    0.0017034    0.0065312    0.0075948
 H   11.1530627   -0.7878894   -0.5850588  0.00   -0.0024671   -0.0061960    0.0068030
 H   11.6217060   -0.0921049    0.9677321  0.00   -0.0030388   -0.0059331    0.0049918
 H    9.9049323   -1.5901639    2.1011768  0.00    0.0001689   -0.0025244   -0.0023530
 H   11.1306893   -2.5204884    1.2411720  0.00   -0.0028075    0.0016821   -0.0018370
 H    8.6838740   -3.2473720    0.7871605  0.00   -0.0002907    0.0001590   -0.0026056
 H    9.6784100   -2.9837576   -0.6191074  0.00   -0.0047550    0.0032568   -0.0051466
 C    7.0752944   -2.1506156   -1.0291045  0.00    0.0028775    0.0052325   -0.0006344
 H    6.5679558   -1.4788816   -1.7326934  0.00   -0.0009152    0.0013073   -0.0020072
 H    6.3188804   -2.5407935   -0.3222754  0.00   -0.0001452   -0.0016391    0.0082947
 H    7.4463038   -3.0317839   -1.5796516  0.00    0.0021589    0.0061762    0.0014038
 C    8.3527357   -0.1170978   -0.1997740  0.00    0.0004076   -0.0029479   -0.0020260
 C    7.3029016    0.8192434   -0.5430674  0.00    0.0020662   -0.0015169    0.0011671
 H    7.6308409    1.8009936   -0.8945176  0.00   -0.0008770   -0.0020296   -0.0039193
 C    5.9542105    0.6459707   -0.3640782  0.00   -0.0009486    0.0026951    0.0017900
 H    5.5958465   -0.2749890    0.1077675  0.00    0.0057798    0.0038202   -0.0082743
 C    4.9342145    1.6121111   -0.7025895  0.00    0.0001533    0.0027079    0.0023798
 C    5.3358713    2.8881129   -1.3743121  0.00   -0.0079035   -0.0014842   -0.0012540
 H    4.4702435    3.4737084   -1.7067917  0.00    0.0019841    0.0006187   -0.0013698
 H    5.9584163    2.6884741   -2.2613435  0.00    0.0015144   -0.0019768    0.0025686
 H    5.9323000    3.5251696   -0.6984826  0.00    0.0029614   -0.0042485   -0.0030432
 C    3.6310459    1.2939261   -0.3885959  0.00    0.0022367    0.0018713    0.0030941
 H    3.4621956    0.3259552    0.0995066  0.00    0.0017581   -0.0044343   -0.0043139
 C    2.4543084    2.0811453   -0.6212092  0.00   -0.0024778   -0.0054620   -0.0015659
 H    2.5711944    3.0656733   -1.0795886  0.00    0.0004749    0.0004197   -0.0056954
 C    1.1974341    1.6358424   -0.3000174  0.00    0.0053244    0.0022425   -0.0009960
 H    1.1007116    0.6396500    0.1483651  0.00    0.0003743   -0.0021381   -0.0011952
 C   -0.0327181    2.3554341   -0.5049809  0.00    0.0024534    0.0004138    0.0006254
 C    0.0296472    3.7188715   -1.1164316  0.00   -0.0015451   -0.0019923    0.0013137
 H   -0.9560098    4.1870894   -1.2251197  0.00    0.0034549    0.0017486   -0.0019684
 H    0.4898767    3.6759831   -2.1176261  0.00    0.0000749   -0.0000193   -0.0041270
 H    0.6577058    4.3954000   -0.5128057  0.00   -0.0000097   -0.0019333    0.0023469
 C   -1.2133006    1.7280844   -0.1306750  0.00    0.0013051   -0.0014126    0.0021844
 H   -1.1546437    0.7189320    0.2911907  0.00   -0.0025741    0.0010444    0.0005789
 C   -2.5121168    2.2645530   -0.2458575  0.00    0.0053222   -0.0065795   -0.0003416
 H   -2.6695051    3.2776837   -0.6321367  0.00    0.0016318   -0.0030187   -0.0036336
 N   -3.6008129    1.6001698    0.0883769  0.00    0.0084862   -0.0013212   -0.0005830
 H   -3.4740219    0.6221610    0.4425364  0.00    0.0020265   -0.0023645   -0.0021405
 C   -4.9355088    2.1414649    0.0266969  0.00   -0.0048818   -0.0045557    0.0014113
 H   -4.9202503    3.0468190   -0.6013448  0.00   -0.0040330   -0.0024500   -0.0094510
 H   -5.5820200    1.4020252   -0.4716395  0.00    0.0021716   -0.0007960    0.0009029
 C   -5.4968459    2.4725271    1.4084295  0.00   -0.0017232    0.0013250    0.0024494
 H   -5.4780654    1.5601188    2.0298667  0.00   -0.0011863   -0.0001740   -0.0029710
 H   -4.8222990    3.1949058    1.9009928  0.00    0.0012130    0.0020359    0.0113130
 C   -6.9126698    3.0333839    1.3510961  0.00    0.0019600    0.0003817    0.0031895
 H   -6.9184978    3.9438649    0.7258722  0.00    0.0003691   -0.0044442   -0.0033464
 H   -7.5659270    2.3113379    0.8336065  0.00   -0.0005359    0.0013651    0.0021089
 C   -7.4856436    3.3543170    2.7228090  0.00   -0.0006427    0.0003205   -0.0013142
 H   -8.5095862    3.7484591    2.6465318  0.00   -0.0066238   -0.0019584    0.0001510
 H   -7.5247490    2.4578641    3.3619015  0.00   -0.0009264   -0.0026614   -0.0003558
 H   -6.8789140    4.1074512    3.2507084  0.00    0.0083349    0.0010693   -0.0010962
 O   -5.6464316   -1.2304450   -0.8779194  0.00   -0.0074779    0.0019387   -0.0021983
 H   -4.8319181   -1.8194819   -0.5396737  0.00    0.0014883    0.0023263   -0.0048254
 C   -6.7933607   -1.7173762   -0.5152170  0.00    0.0042598    0.0013153    0.0132681
 O   -7.0231490   -2.6925367    0.1499241  0.00   -0.0023612   -0.0071834    0.0002818
 C   -7.9541029   -0.8780673   -1.0940346  0.00   -0.0001705    0.0001669   -0.0021380
 F   -7.7587280    0.4352031   -0.9128913  0.00   -0.0006208   -0.0043858   -0.0000251
 F   -8.0700780   -1.0886162   -2.4043755  0.00   -0.0029778   -0.0012696   -0.0034283
 F   -9.1061007   -1.1957734   -0.5180524  0.00   -0.0049473   -0.0020042   -0.0037857
 O   -2.8180525   -0.8340991    0.9824341  0.00   -0.0005773    0.0060755    0.0004750
 C   -2.8456706   -1.9958859    0.5568822  0.00    0.0032930   -0.0111653   -0.0004042
 O   -3.6909772   -2.5754546   -0.1533745  0.00   -0.0055506   -0.0051977    0.0025244
 C   -1.6265615   -2.8534946    0.9762557  0.00    0.0026148   -0.0081972    0.0015136
 F   -1.5482319   -2.9540424    2.3055178  0.00   -0.0006230   -0.0008100    0.0036163
 F   -1.6664238   -4.0910500    0.4817394  0.00   -0.0037435   -0.0017679    0.0032436
 F   -0.4872106   -2.2904761    0.5501824  0.00   -0.0011439    0.0030168   -0.0048644
78
 Energy =   -2041.3864627430
 C    8.2070904   -1.4934956   -0.3114466  0.00   -0.0012747    0.0030260   -0.0029625
 C    9.2184373   -2.4491622    0.2378547  0.00   -0.0035540   -0.0019204    0.0025119
 C   10.2966655   -1.8147892    1.0957045  0.00   -0.0045719    0.0007261    0.0007778
 C   10.7740820   -0.5420552    0.4251836  0.00   -0.0047248    0.0002559   -0.0013906
 C    9.6621670    0.5115067    0.2991899  0.00    0.0064824   -0.0030053   -0.0013430
 C   10.1571264    1.5911509   -0.6773832  0.00    0.0063141    0.0001915    0.0014999
 H    9.5299041    2.4931745   -0.6755429  0.00   -0.0065846   -0.0010351   -0.0009637
 H   10.2047530    1.2087158   -1.7087272  0.00    0.0005156    0.0019832   -0.0010603
 H   11.1730613    1.9017990   -0.3875968  0.00   -0.0022842    0.0014319   -0.0004251
 C    9.3962533    1.1681996    1.6666336  0.00   -0.0009642   -0.0024258   -0.0037458
 H    8.6023511    1.9258341    1.5949653  0.00   -0.0039473    0.0021855   -0.0008102
 H   10.3085014    1.6659458    2.0322228  0.00    0.0006484   -0.0045183   -0.0000808
 H    9.0837148    0.4297347    2.4192157  0.00    0.0023678    0.0065907    0.0079863
 H   11.1520587   -0.7891365   -0.5838470  0.00   -0.0012160   -0.0029316    0.0071375
 H   11.6207102   -0.0948388    0.9701355  0.00    0.0002098   -0.0009004    0.0047957
 H    9.9022514   -1.5906852    2.1006934  0.00    0.0002743   -0.0033798   -0.0004384
 H   11.1289777   -2.5203300    1.2408932  0.00   -0.0031855   -0.0024323   -0.0005139
 H    8.6804930   -3.2459710    0.7866461  0.00    0.0011424    0.0010308   -0.0045983
 H    9.6761029   -2.9844764   -0.6192905  0.00   -0.0023104    0.0010099   -0.0090861
 C    7.0736314   -2.1477219   -1.0316287  0.00    0.0009142    0.0047374   -0.0012395
 H    6.5659801   -1.4748252   -1.7341072  0.00    0.0012528    0.0001994   -0.0000670
 H    6.3172722   -2.5390323   -0.3252169  0.00    0.0011321   -0.0007752    0.0078654
 H    7.4436746   -3.0280905   -1.5838849  0.00    0.0040406    0.0043658    0.0008365
 C    8.3527022   -0.1164203   -0.2004875  0.00    0.0023931    0.0020485   -0.0010965
 C    7.3036779    0.8201767   -0.5440989  0.00    0.0014351    0.0077857   -0.0022653
 H    7.6322624    1.8019223   -0.8959310  0.00   -0.0031697   -0.0062152   -0.0020367
 C    5.9550090    0.6470005   -0.3653394  0.00   -0.0033081    0.0012319    0.0021271
 H    5.5970399   -0.2739616    0.1068049  0.00    0.0052478    0.0044814   -0.0075026
 C    4.9346989    1.6124057   -0.7047139  0.00   -0.0002971    0.0050607    0.0003276
 C    5.3368495    2.8873593   -1.3786336  0.00   -0.0093553   -0.0075458    0.0009487
 H    4.4714832    3.4736331   -1.7100410  0.00   -0.0001597    0.0021927   -0.0029973
 H    5.9581268    2.6858445   -2.2662632  0.00    0.0001274   -0.0010636    0.0040456
 H    5.9347758    3.5237431   -0.7037786  0.00    0.0046628   -0.0016563   -0.0027412
 C    3.6316660    1.2945022   -0.3893508  0.00    0.0049322    0.0028316    0.0049057
 H    3.4639229    0.3273412    0.1007505  0.00    0.0009763   -0.0048392   -0.0052213
 C    2.4542747    2.0810015   -0.6215044  0.00    0.0036453    0.0007576   -0.0053213
 H    2.5708262    3.0658046   -1.0802835  0.00   -0.0010594   -0.0053656   -0.0035745
 C    1.1978902    1.6348870   -0.2999603  0.00    0.0032822    0.0007833   -0.0024346
 H    1.1021273    0.6387885    0.1487884  0.00    0.0000778   -0.0023867   -0.0009769
 C   -0.0328396    2.3531916   -0.5058142  0.00    0.0032257    0.0024934   -0.0002791
 C    0.0288480    3.7163702   -1.1179486  0.00   -0.0035240   -0.0017325    0.0034644
 H   -0.9570618    4.1838937   -1.2266721  0.00    0.0023033    0.0027684   -0.0009222
 H    0.4879506    3.6732240   -2.1194848  0.00    0.0027796   -0.0006224   -0.0055923
 H    0.6568172    4.3934847   -0.5148797  0.00   -0.0001018   -0.0018483    0.0014471
 C   -1.2132225    1.7252671   -0.1320701  0.00    0.0026659   -0.0017075    0.0029290
 H   -1.1541785    0.7157688    0.2886967  0.00   -0.0026444    0.0001663    0.0027857
 C   -2.5121630    2.2614664   -0.2464844  0.00    0.0049735   -0.0046771   -0.0035129
 H   -2.6699019    3.2745391   -0.6330433  0.00    0.0013476   -0.0043919   -0.0025009
 N   -3.6003599    1.5965839    0.0880950  0.00    0.0047034   -0.0033242   -0.0021659
 H   -3.4728547    0.6187883    0.4425865  0.00    0.0019258   -0.0030441   -0.0014857
 C   -4.9357504    2.1363785    0.0256660  0.00   -0.0020572   -0.0008507    0.0030854
 H   -4.9212228    3.0412583   -0.6030004  0.00   -0.0039303   -0.0023364   -0.0110620
 H   -5.5817987    1.3959989   -0.4718786  0.00    0.0028953   -0.0013278    0.0014326
 C   -5.4966012    2.4691446    1.4071199  0.00   -0.0013741    0.0031526    0.0054005
 H   -5.4785195    1.5574365    2.0293565  0.00   -0.0006852   -0.0022428   -0.0016194
 H   -4.8211656    3.1913576    1.8989267  0.00    0.0004179    0.0010805    0.0103705
 C   -6.9119453    3.0312169    1.3501018  0.00    0.0042288    0.0032994    0.0033998
 H   -6.9168950    3.9411775    0.7242036  0.00    0.0001051   -0.0028129   -0.0031410
 H   -7.5650834    2.3095551    0.8321598  0.00   -0.0045313    0.0001165    0.0045652
 C   -7.4840847    3.3538055    2.7221137  0.00    0.0020682   -0.0009840   -0.0033883
 H   -8.5077836    3.7486899    2.6465112  0.00   -0.0063905   -0.0014775   -0.0009211
 H   -7.5236799    2.4576392    3.3615756  0.00   -0.0006384   -0.0024988    0.0002219
 H   -6.8761583    4.1067584    3.2494508  0.00    0.0061517   -0.0020068   -0.0039038
 O   -5.6490017   -1.2350759   -0.8753579  0.00   -0.0059769    0.0004061   -0.0019904
 H   -4.8344322   -1.8234933   -0.5358958  0.00   -0.0002788    0.0034524   -0.0053515
 C   -6.7964741   -1.7219501   -0.5140061  0.00    0.0085701    0.0106159    0.0070986
 O   -7.0271596   -2.6961800    0.1517607  0.00   -0.0044672   -0.0147296    0.0045949
 C   -7.9559555   -0.8824502   -1.0952461  0.00    0.0010860   -0.0057567   -0.0010383
 F   -7.7598352    0.4304918   -0.9142575  0.00   -0.0022275   -0.0003632    0.0006191
 F   -8.0705098   -1.0933314   -2.4056760  0.00   -0.0024589   -0.0015813   -0.0027978
 F   -9.1086418   -1.1998097   -0.5204636  0.00   -0.0069957    0.0000144   -0.0041608
 O   -2.8173365   -0.8367719    0.9840440  0.00    0.0011818   -0.0059615   -0.0049010
 C   -2.8467010   -1.9993974    0.5599112  0.00    0.0005019   -0.0038183    0.0049793
 O   -3.6935527   -2.5787595   -0.1488352  0.00   -0.0008153   -0.0043107    0.0043777
 C   -1.6286180   -2.8587061    0.9800278  0.00   -0.0022490   -0.0008716    0.0054622
 F   -1.5471336   -2.9533615    2.3097961  0.00    0.0004709    0.0001039   -0.0024833
 F   -1.6739911   -4.0982301    0.4915546  0.00   -0.0013318   -0.0043941    0.0012772
 F   -0.4888633   -2.3007785    0.5481091  0.00   -0.0038268   -0.0001640   -0.0029224
78
 Energy =   -2041.3864938343
 C    8.2057492   -1.4920163   -0.3134716  0.00    0.0038286   -0.0091498    0.0024439
 C    9.2158998   -2.4488797    0.2368014  0.00   -0.0058851    0.0031202    0.0014231
 C   10.2940987   -1.8153207    1.0955124  0.00   -0.0066354   -0.0032146   -0.0029775
 C   10.7728612   -0.5426635    0.4264126  0.00   -0.0044419   -0.0028981    0.0007496
 C    9.6620542    0.5115418    0.2998168  0.00    0.0081196   -0.0004534   -0.0031019
 C   10.1591915    1.5908428   -0.6763140  0.00   -0.0019924    0.0057566    0.0017101
 H    9.5315880    2.4929650   -0.6767999  0.00   -0.0036362   -0.0044049    0.0012241
 H   10.2081049    1.2082642   -1.7073037  0.00    0.0012297   -0.0010799   -0.0043724
 H   11.1746736    1.9020157   -0.3858816  0.00   -0.0015108    0.0007195    0.0021132
 C    9.3944081    1.1682701    1.6668680  0.00   -0.0069774   -0.0062338   -0.0000599
 H    8.6024991    1.9279772    1.5935373  0.00   -0.0034014    0.0001264   -0.0003595
 H   10.3062371    1.6634733    2.0356178  0.00    0.0078000   -0.0003531   -0.0006796
 H    9.0788481    0.4305193    2.4193049  0.00    0.0013769    0.0079990    0.0030097
 H   11.1506983   -0.7902626   -0.5822887  0.00    0.0018210   -0.0014504    0.0039594
 H   11.6197441   -0.0975654    0.9726695  0.00   -0.0000381    0.0016966    0.0030575
 H    9.8993020   -1.5918605    2.1001035  0.00   -0.0013978   -0.0024949    0.0051044
 H   11.1261454   -2.5210521    1.2403220  0.00   -0.0024760   -0.0046698    0.0006888
 H    8.6768972   -3.2449168    0.7853086  0.00   -0.0005019   -0.0005916   -0.0031542
 H    9.6732043   -2.9847610   -0.6198700  0.00    0.0001776   -0.0003882   -0.0115467
 C    7.0719162   -2.1445673   -1.0342553  0.00   -0.0001996    0.0003027    0.0003995
 H    6.5641112   -1.4702567   -1.7351940  0.00    0.0013810   -0.0009387   -0.0011613
 H    6.3158265   -2.5374046   -0.3280986  0.00    0.0030175    0.0009842    0.0062170
 H    7.4416901   -3.0242887   -1.5878075  0.00    0.0036285    0.0050664   -0.0002117
 C    8.3528553   -0.1157363   -0.2015700  0.00    0.0018751    0.0148930   -0.0003483
 C    7.3044024    0.8213160   -0.5451863  0.00   -0.0038612    0.0073181   -0.0029138
 H    7.6327116    1.8027237   -0.8975095  0.00   -0.0006208   -0.0025660   -0.0026299
 C    5.9556552    0.6480975   -0.3664854  0.00    0.0008346    0.0031551   -0.0003797
 H    5.5984095   -0.2729028    0.1057088  0.00    0.0027161    0.0033275   -0.0051963
 C    4.9351467    1.6129270   -0.7069575  0.00   -0.0010566    0.0009790    0.0027692
 C    5.3373721    2.8862956   -1.3830459  0.00   -0.0039490   -0.0025289    0.0019669
 H    4.4727484    3.4742072   -1.7135844  0.00   -0.0002380    0.0005193   -0.0033089
 H    5.9577961    2.6826467   -2.2708418  0.00   -0.0021148   -0.0004850    0.0029244
 H    5.9379737    3.5220721   -0.7098032  0.00    0.0025928   -0.0013794   -0.0034143
 C    3.6325230    1.2951430   -0.3900525  0.00    0.0022053   -0.0032642    0.0081720
 H    3.4661178    0.3281721    0.1019292  0.00    0.0004556    0.0022762   -0.0090553
 C    2.4544092    2.0807415   -0.6222668  0.00    0.0056148   -0.0003230   -0.0032027
 H    2.5702664    3.0655375   -1.0812153  0.00   -0.0010887   -0.0054987   -0.0044325
 C    1.1984717    1.6338627   -0.2999822  0.00    0.0028576   -0.0030704   -0.0039174
 H    1.1036522    0.6376006    0.1491088  0.00    0.0001020    0.0010296   -0.0019901
 C   -0.0328621    2.3508833   -0.5066397  0.00    0.0015016    0.0016618   -0.0000440
 C    0.0278635    3.7136616   -1.1193538  0.00   -0.0004362    0.0011417   -0.0055103
 H   -0.9578587    4.1813913   -1.2284719  0.00    0.0002332    0.0014558    0.0011709
 H    0.4859711    3.6702499   -2.1218382  0.00    0.0021655   -0.0008437    0.0017999
 H    0.6557943    4.3912952   -0.5169812  0.00    0.0013970   -0.0010189    0.0009991
 C   -1.2130941    1.7223468   -0.1334890  0.00    0.0052929   -0.0025648    0.0039018
 H   -1.1543810    0.7126131    0.2863984  0.00   -0.0003456   -0.0018075    0.0050386
 C   -2.5120188    2.2581684   -0.2472926  0.00    0.0045303   -0.0017157   -0.0071067
 H   -2.6699187    3.2709419   -0.6343018  0.00    0.0000801   -0.0026912   -0.0023503
 N   -3.5996528    1.5928412    0.0876442  0.00   -0.0045617   -0.0058704   -0.0015220
 H   -3.4711716    0.6152427    0.4426956  0.00    0.0005385   -0.0016138   -0.0018912
 C   -4.9360797    2.1312090    0.0248773  0.00    0.0056452    0.0041543    0.0030830
 H   -4.9230590    3.0353031   -0.6051626  0.00   -0.0018515   -0.0034378   -0.0100435
 H   -5.5812722    1.3898284   -0.4719635  0.00    0.0011637   -0.0040354    0.0026909
 C   -5.4963104    2.4658829    1.4062038  0.00    0.0028821    0.0015506    0.0037847
 H   -5.4791841    1.5545224    2.0287499  0.00    0.0002785   -0.0031138    0.0009102
 H   -4.8199698    3.1879677    1.8972028  0.00   -0.0002253   -0.0008068    0.0095999
 C   -6.9107824    3.0291610    1.3492152  0.00    0.0002624    0.0017231   -0.0012159
 H   -6.9150327    3.9382868    0.7223185  0.00    0.0001491    0.0001237   -0.0030447
 H   -7.5644150    2.3078612    0.8313517  0.00   -0.0055167   -0.0005388    0.0058861
 C   -7.4823295    3.3531511    2.7209472  0.00   -0.0016696   -0.0024070    0.0004135
 H   -8.5059845    3.7487727    2.6456611  0.00   -0.0028177   -0.0013480   -0.0016417
 H   -7.5231876    2.4570512    3.3609281  0.00    0.0014566    0.0018666   -0.0016389
 H   -6.8731841    4.1060241    3.2472800  0.00    0.0039516   -0.0043261   -0.0033487
 O   -5.6519697   -1.2396255   -0.8732716  0.00    0.0036238   -0.0036166    0.0023696
 H   -4.8370940   -1.8272323   -0.5320849  0.00   -0.0024194    0.0045948   -0.0073178
 C   -6.7994792   -1.7263987   -0.5126142  0.00   -0.0049631    0.0020367    0.0064215
 O   -7.0316799   -2.7002421    0.1536814  0.00    0.0017898   -0.0041094   -0.0012688
 C   -7.9583446   -0.8872394   -1.0965554  0.00   -0.0037580   -0.0086212    0.0019001
 F   -7.7622304    0.4255718   -0.9154639  0.00   -0.0017156    0.0020374   -0.0004412
 F   -8.0719607   -1.0983925   -2.4071378  0.00    0.0010200   -0.0016714    0.0010273
 F   -9.1120812   -1.2041595   -0.5230746  0.00   -0.0032192    0.0002508   -0.0050820
 O   -2.8162663   -0.8398286    0.9853175  0.00    0.0024456   -0.0100382   -0.0073473
 C   -2.8475448   -2.0031985    0.5630748  0.00   -0.0063583   -0.0062963    0.0067067
 O   -3.6960590   -2.5826085   -0.1440073  0.00    0.0025603    0.0007002    0.0066555
 C   -1.6307071   -2.8641547    0.9841770  0.00   -0.0057100    0.0053116   -0.0000720
 F   -1.5454624   -2.9526616    2.3139471  0.00    0.0016752    0.0002085   -0.0017321
 F   -1.6814089   -4.1058718    0.5017738  0.00    0.0016891   -0.0030001    0.0007797
 F   -0.4910392   -2.3107815    0.5456496  0.00   -0.0055222   -0.0052637   -0.0000778
78
 Energy =   -2041.3865277160
 C    8.2045147   -1.4908658   -0.3150517  0.00    0.0027332    0.0020245    0.0031395
 C    9.2129355   -2.4483542    0.2356588  0.00   -0.0000698   -0.0002499   -0.0061657
 C   10.2910295   -1.8162931    1.0949987  0.00   -0.0022692   -0.0044125    0.0007410
 C   10.7712251   -0.5434118    0.4276086  0.00    0.0032404   -0.0057600    0.0033743
 C    9.6621137    0.5116902    0.3000791  0.00    0.0008788    0.0008247   -0.0008214
 C   10.1610529    1.5908230   -0.6755623  0.00   -0.0016434    0.0034431    0.0004176
 H    9.5332765    2.4927195   -0.6776327  0.00   -0.0044548   -0.0032490    0.0014574
 H   10.2116027    1.2075830   -1.7064252  0.00    0.0006749   -0.0002372   -0.0015563
 H   11.1762197    1.9025386   -0.3842852  0.00   -0.0030777   -0.0007248    0.0034511
 C    9.3923215    1.1679238    1.6672369  0.00   -0.0003115    0.0002374   -0.0005452
 H    8.6026735    1.9300467    1.5924556  0.00   -0.0019243   -0.0021930   -0.0000262
 H   10.3047869    1.6603673    2.0385166  0.00    0.0061913    0.0007917   -0.0023382
 H    9.0739887    0.4314297    2.4196669  0.00   -0.0008242    0.0046621    0.0001253
 H   11.1501978   -0.7911681   -0.5803915  0.00    0.0028102   -0.0007681    0.0000504
 H   11.6182703   -0.1000585    0.9752687  0.00   -0.0018575    0.0022304    0.0020213
 H    9.8961895   -1.5935524    2.0995816  0.00   -0.0024233   -0.0022837    0.0074557
 H   11.1227632   -2.5227236    1.2393924  0.00   -0.0045421   -0.0030707    0.0007460
 H    8.6730659   -3.2440198    0.7830119  0.00   -0.0030350   -0.0054232    0.0002473
 H    9.6701391   -2.9840227   -0.6214391  0.00    0.0001390   -0.0003309   -0.0088633
 C    7.0705021   -2.1415372   -1.0366844  0.00    0.0028036   -0.0054212    0.0012851
 H    6.5626874   -1.4655783   -1.7357817  0.00    0.0001601   -0.0019273   -0.0034523
 H    6.3153226   -2.5358882   -0.3304772  0.00    0.0011079    0.0008021    0.0054669
 H    7.4405525   -3.0205410   -1.5915452  0.00    0.0012096    0.0073996   -0.0006660
 C    8.3529791   -0.1146188   -0.2026589  0.00   -0.0016494    0.0128698   -0.0018821
 C    7.3047065    0.8226816   -0.5465176  0.00   -0.0025944   -0.0003386    0.0000752
 H    7.6331090    1.8032983   -0.8991259  0.00    0.0021695    0.0068701   -0.0057475
 C    5.9561413    0.6492921   -0.3675303  0.00    0.0041864    0.0033267   -0.0022281
 H    5.5997313   -0.2719427    0.1044456  0.00    0.0004015    0.0025028   -0.0026572
 C    4.9353986    1.6135012   -0.7087872  0.00   -0.0010415   -0.0041439    0.0039338
 C    5.3377054    2.8849837   -1.3873070  0.00   -0.0006999    0.0053036    0.0051601
 H    4.4739105    3.4748959   -1.7168399  0.00    0.0011830   -0.0016158   -0.0025310
 H    5.9567971    2.6789480   -2.2751832  0.00   -0.0022446   -0.0013838   -0.0025598
 H    5.9419892    3.5197368   -0.7162535  0.00   -0.0004689   -0.0000503   -0.0032656
 C    3.6333777    1.2955122   -0.3906308  0.00    0.0000091   -0.0035448    0.0084983
 H    3.4681028    0.3290141    0.1028152  0.00   -0.0005656    0.0037660   -0.0097180
 C    2.4548917    2.0803606   -0.6232359  0.00    0.0000701   -0.0047554    0.0010025
 H    2.5699592    3.0648359   -1.0825051  0.00   -0.0001511   -0.0020277   -0.0064838
 C    1.1992693    1.6328148   -0.3001593  0.00    0.0030917   -0.0025091   -0.0079806
 H    1.1054787    0.6363358    0.1488031  0.00   -0.0005968    0.0026001   -0.0013534
 C   -0.0328098    2.3486583   -0.5074738  0.00   -0.0001386   -0.0015326    0.0006015
 C    0.0268951    3.7110648   -1.1209736  0.00    0.0027322    0.0039105   -0.0071578
 H   -0.9583538    4.1797699   -1.2302969  0.00   -0.0015538   -0.0016679    0.0030121
 H    0.4841057    3.6668852   -2.1240055  0.00    0.0031949   -0.0000810    0.0047736
 H    0.6550149    4.3888461   -0.5189108  0.00    0.0024353   -0.0007498   -0.0012725
 C   -1.2127811    1.7193016   -0.1347140  0.00    0.0061957   -0.0014019    0.0044307
 H   -1.1544618    0.7093493    0.2846131  0.00    0.0020654   -0.0020685    0.0062219
 C   -2.5117416    2.2549176   -0.2480977  0.00    0.0028965   -0.0047175   -0.0092321
 H   -2.6699282    3.2671926   -0.6358090  0.00   -0.0007388    0.0002958   -0.0023235
 N   -3.5990405    1.5890319    0.0869777  0.00   -0.0032718   -0.0063163   -0.0000584
 H   -3.4695532    0.6116984    0.4427270  0.00   -0.0007638   -0.0003182   -0.0025734
 C   -4.9358818    2.1263812    0.0243527  0.00    0.0042469    0.0061341   -0.0000292
 H   -4.9243996    3.0293927   -0.6074230  0.00    0.0001531   -0.0034097   -0.0084761
 H   -5.5804960    1.3838825   -0.4719615  0.00    0.0009670   -0.0029308    0.0069854
 C   -5.4955750    2.4629870    1.4056524  0.00    0.0031832   -0.0029849   -0.0000418
 H   -5.4792503    1.5516010    2.0281949  0.00    0.0009753   -0.0014541    0.0031194
 H   -4.8190388    3.1852297    1.8961167  0.00    0.0015255   -0.0023531    0.0090550
 C   -6.9093697    3.0273351    1.3484454  0.00   -0.0043529   -0.0024265   -0.0060501
 H   -6.9129714    3.9353523    0.7202047  0.00    0.0002346    0.0038204   -0.0024667
 H   -7.5638729    2.3064446    0.8311309  0.00   -0.0049955   -0.0023200    0.0053805
 C   -7.4808058    3.3524652    2.7197593  0.00   -0.0021251   -0.0014993   -0.0019081
 H   -8.5042973    3.7489418    2.6440397  0.00    0.0004437   -0.0023771   -0.0003412
 H   -7.5219716    2.4563306    3.3597469  0.00    0.0009436    0.0040084   -0.0006186
 H   -6.8703210    4.1051177    3.2446602  0.00    0.0025360   -0.0036499    0.0003370
 O   -5.6550801   -1.2441406   -0.8713113  0.00    0.0031411    0.0001650    0.0026397
 H   -4.8405301   -1.8303818   -0.5287357  0.00   -0.0000219    0.0015915   -0.0069114
 C   -6.8027884   -1.7306841   -0.5111344  0.00   -0.0104895   -0.0094669    0.0069288
 O   -7.0353234   -2.7044262    0.1556310  0.00    0.0026078    0.0071230   -0.0066292
 C   -7.9612940   -0.8923588   -1.0977975  0.00   -0.0045518   -0.0007025    0.0025128
 F   -7.7656800    0.4208571   -0.9170189  0.00   -0.0001042   -0.0021350   -0.0011632
 F   -8.0730758   -1.1038144   -2.4086219  0.00    0.0025695   -0.0032706    0.0063012
 F   -9.1160405   -1.2084365   -0.5258336  0.00   -0.0009210   -0.0029004   -0.0058803
 O   -2.8145975   -0.8428613    0.9858952  0.00    0.0004509    0.0008348   -0.0031688
 C   -2.8488591   -2.0068189    0.5663252  0.00   -0.0036895   -0.0155055    0.0042336
 O   -3.6985508   -2.5860228   -0.1392326  0.00   -0.0029100    0.0000195    0.0045300
 C   -1.6331805   -2.8688320    0.9879552  0.00   -0.0013634   -0.0016999   -0.0041002
 F   -1.5433128   -2.9515534    2.3175785  0.00    0.0001642    0.0004067    0.0014741
 F   -1.6876622   -4.1129978    0.5113485  0.00   -0.0008855    0.0011836    0.0021380
 F   -0.4939079   -2.3201763    0.5428518  0.00   -0.0029320   -0.0034402   -0.0002548
78
 Energy =   -2041.3865621018
 C    8.2037661   -1.4895208   -0.3165257  0.00   -0.0030576    0.0091518    0.0002181
 C    9.2105141   -2.4479444    0.2342492  0.00    0.0035516   -0.0070185   -0.0093401
 C   10.2882615   -1.8173676    1.0946652  0.00   -0.0000057   -0.0036290    0.0072327
 C   10.7700173   -0.5442491    0.4288869  0.00    0.0060339   -0.0095488    0.0020956
 C    9.6622608    0.5118756    0.3004676  0.00   -0.0038641   -0.0005699   -0.0002800
 C   10.1630388    1.5908431   -0.6746186  0.00    0.0015457   -0.0056742   -0.0019627
 H    9.5353165    2.4923245   -0.6773996  0.00   -0.0069131    0.0020656    0.0000389
 H   10.2149819    1.2066456   -1.7054812  0.00   -0.0001740    0.0032839    0.0042255
 H   11.1780737    1.9022092   -0.3822323  0.00   -0.0045757   -0.0007702    0.0036580
 C    9.3907664    1.1676885    1.6677015  0.00    0.0069322    0.0051980   -0.0009555
 H    8.6032461    1.9319341    1.5915592  0.00   -0.0014543   -0.0027959   -0.0000798
 H   10.3042458    1.6579610    2.0401718  0.00    0.0017716   -0.0003686   -0.0017778
 H    9.0693573    0.4323234    2.4200783  0.00    0.0002098    0.0038038   -0.0031342
 H   11.1505907   -0.7923479   -0.5785339  0.00    0.0013680    0.0013632    0.0004114
 H   11.6168322   -0.1025057    0.9780049  0.00   -0.0009614    0.0039740    0.0027698
 H    9.8928285   -1.5953650    2.0994221  0.00   -0.0013392   -0.0026901    0.0043933
 H   11.1197330   -2.5242623    1.2390653  0.00   -0.0061765   -0.0025102    0.0006498
 H    8.6694341   -3.2434515    0.7808188  0.00   -0.0018432   -0.0051208   -0.0010883
 H    9.6678227   -2.9833969   -0.6234107  0.00   -0.0015387    0.0012161   -0.0037988
 C    7.0695212   -2.1389066   -1.0390742  0.00    0.0060902   -0.0047981    0.0015425
 H    6.5614014   -1.4617921   -1.7367946  0.00    0.0000747   -0.0026513   -0.0034465
 H    6.3152530   -2.5346185   -0.3328231  0.00   -0.0009023   -0.0001031    0.0052012
 H    7.4398805   -3.0168044   -1.5954842  0.00    0.0003703    0.0069180   -0.0009763
 C    8.3530982   -0.1132196   -0.2036464  0.00   -0.0010750    0.0069029   -0.0018942
 C    7.3051667    0.8243057   -0.5478888  0.00    0.0034627   -0.0020341   -0.0009504
 H    7.6343621    1.8040453   -0.9017579  0.00    0.0010453    0.0101057   -0.0056783
 C    5.9569169    0.6506559   -0.3687264  0.00    0.0022892    0.0009673   -0.0016429
 H    5.6011154   -0.2708420    0.1031260  0.00    0.0000869    0.0030882   -0.0008740
 C    4.9356750    1.6139510   -0.7105423  0.00    0.0008409   -0.0036354    0.0025982
 C    5.3382162    2.8839059   -1.3915413  0.00   -0.0011894    0.0036604    0.0058413
 H    4.4751250    3.4752710   -1.7201237  0.00    0.0003823   -0.0011512   -0.0017346
 H    5.9551597    2.6750928   -2.2800718  0.00   -0.0016255   -0.0015381   -0.0058913
 H    5.9460107    3.5174576   -0.7228646  0.00   -0.0006964    0.0035985   -0.0013882
 C    3.6342300    1.2958206   -0.3911327  0.00   -0.0010785    0.0015844    0.0063743
 H    3.4697164    0.3301907    0.1035823  0.00   -0.0013504   -0.0006056   -0.0075488
 C    2.4554017    2.0799872   -0.6240199  0.00   -0.0040479   -0.0059493    0.0015146
 H    2.5695735    3.0641344   -1.0840096  0.00    0.0008967   -0.0006469   -0.0069924
 C    1.2000985    1.6317233   -0.3005951  0.00    0.0011846    0.0009985   -0.0105488
 H    1.1070918    0.6353505    0.1484191  0.00   -0.0009054    0.0007910    0.0002689
 C   -0.0327800    2.3464253   -0.5083142  0.00    0.0010703   -0.0009904   -0.0023268
 C    0.0257764    3.7087891   -1.1228495  0.00    0.0037882    0.0001169    0.0031420
 H   -0.9594580    4.1776226   -1.2313008  0.00   -0.0023776   -0.0025377    0.0025747
 H    0.4823208    3.6640272   -2.1258053  0.00    0.0051176    0.0004025    0.0003904
 H    0.6542043    4.3864248   -0.5208706  0.00    0.0024382    0.0000482   -0.0032752
 C   -1.2123561    1.7161619   -0.1358548  0.00    0.0049739   -0.0020115    0.0042969
 H   -1.1542251    0.7058400    0.2830632  0.00    0.0034772    0.0010608    0.0061987
 C   -2.5114390    2.2515220   -0.2493932  0.00   -0.0011606   -0.0072711   -0.0080337
 H   -2.6700787    3.2634858   -0.6377699  0.00   -0.0005685   -0.0000052   -0.0017940
 N   -3.5985578    1.5853739    0.0864678  0.00    0.0055526   -0.0044699   -0.0014184
 H   -3.4682234    0.6083582    0.4426884  0.00   -0.0015560   -0.0011660   -0.0020749
 C   -4.9354754    2.1216873    0.0238712  0.00   -0.0030571    0.0033967   -0.0027204
 H   -4.9257236    3.0232258   -0.6099000  0.00    0.0019270   -0.0010110   -0.0079048
 H   -5.5795272    1.3775939   -0.4714691  0.00    0.0016817    0.0000930    0.0111468
 C   -5.4948615    2.4600336    1.4050674  0.00    0.0016775   -0.0026025   -0.0026030
 H   -5.4792129    1.5487351    2.0277218  0.00    0.0008669   -0.0006290    0.0047395
 H   -4.8179387    3.1822749    1.8953743  0.00    0.0006478   -0.0045118    0.0068588
 C   -6.9084056    3.0254658    1.3473982  0.00   -0.0024899   -0.0036018   -0.0072349
 H   -6.9113217    3.9326614    0.7178859  0.00    0.0001756    0.0041300   -0.0007549
 H   -7.5635962    2.3047623    0.8309436  0.00   -0.0054310   -0.0045023    0.0038268
 C   -7.4794573    3.3518654    2.7185394  0.00    0.0002082   -0.0010959   -0.0039888
 H   -8.5028635    3.7487721    2.6429029  0.00    0.0022282   -0.0023268    0.0005669
 H   -7.5202495    2.4560467    3.3588686  0.00   -0.0004893    0.0033483    0.0003419
 H   -6.8675711    4.1040359    3.2423734  0.00    0.0008621   -0.0018189    0.0017963
 O   -5.6581967   -1.2484703   -0.8690048  0.00   -0.0056649    0.0025911    0.0018640
 H   -4.8439638   -1.8335318   -0.5254700  0.00    0.0007177   -0.0010761   -0.0054464
 C   -6.8065029   -1.7352155   -0.5096916  0.00   -0.0008420   -0.0041081    0.0017029
 O   -7.0387629   -2.7084676    0.1575276  0.00   -0.0020917    0.0031570   -0.0032318
 C   -7.9644737   -0.8976503   -1.0988929  0.00    0.0011796    0.0043290    0.0016247
 F   -7.7690924    0.4158454   -0.9187512  0.00   -0.0008070   -0.0049003   -0.0003565
 F   -8.0735433   -1.1097355   -2.4098794  0.00    0.0012246   -0.0047715    0.0079871
 F   -9.1201183   -1.2132470   -0.5287369  0.00   -0.0014053   -0.0043425   -0.0062357
 O   -2.8133186   -0.8458369    0.9861126  0.00   -0.0008675    0.0067735    0.0001750
 C   -2.8507511   -2.0106887    0.5696774  0.00    0.0009861   -0.0157454    0.0016351
 O   -3.7017115   -2.5895294   -0.1342097  0.00   -0.0083524   -0.0041373    0.0019128
 C   -1.6360107   -2.8734436    0.9914916  0.00    0.0031733   -0.0085421   -0.0020139
 F   -1.5415937   -2.9502037    2.3211637  0.00   -0.0011046    0.0005776    0.0020132
 F   -1.6940931   -4.1199022    0.5208729  0.00   -0.0046242    0.0016544    0.0029039
 F   -0.4970734   -2.3298241    0.5400192  0.00   -0.0003625    0.0004834   -0.0015301
78
 Energy =   -2041.3866013235
 C    8.2034720   -1.4877414   -0.3183839  0.00   -0.0051199    0.0066733   -0.0005134
 C    9.2088567   -2.4479541    0.2323583  0.00   -0.0010388   -0.0090511   -0.0028607
 C   10.2857109   -1.8186456    1.0951122  0.00   -0.0017694   -0.0033676    0.0072529
 C   10.7696931   -0.5455152    0.4305457  0.00   -0.0020611   -0.0133283   -0.0007879
 C    9.6626526    0.5118198    0.3010607  0.00   -0.0000326   -0.0039980   -0.0002250
 C   10.1657634    1.5904013   -0.6731222  0.00    0.0012956   -0.0035533    0.0036755
 H    9.5381666    2.4918303   -0.6760409  0.00   -0.0066552    0.0047762   -0.0009120
 H   10.2186724    1.2067407   -1.7038658  0.00    0.0005200    0.0014433    0.0008685
 H   11.1805793    1.9010436   -0.3789268  0.00   -0.0058989   -0.0006362    0.0024286
 C    9.3903114    1.1677729    1.6682305  0.00    0.0065365    0.0034802   -0.0023497
 H    8.6045459    1.9337524    1.5906661  0.00   -0.0006661   -0.0029596    0.0001813
 H   10.3049285    1.6562608    2.0402511  0.00   -0.0001564   -0.0005571    0.0024751
 H    9.0658189    0.4332940    2.4207034  0.00    0.0044784    0.0071872   -0.0077219
 H   11.1517087   -0.7940374   -0.5765741  0.00   -0.0008200    0.0036144    0.0048508
 H   11.6158472   -0.1051636    0.9812160  0.00    0.0023249    0.0068949    0.0044130
 H    9.8887693   -1.5976379    2.0998623  0.00    0.0003152   -0.0018247   -0.0012053
 H   11.1164263   -2.5260703    1.2402283  0.00   -0.0044354   -0.0043106    0.0008467
 H    8.6661348   -3.2436867    0.7784310  0.00    0.0033709    0.0024524   -0.0082532
 H    9.6664141   -2.9829639   -0.6257363  0.00   -0.0021346    0.0027481    0.0003523
 C    7.0693631   -2.1365733   -1.0417991  0.00    0.0032816    0.0007185    0.0005400
 H    6.5603922   -1.4593075   -1.7389537  0.00    0.0014009   -0.0022544   -0.0006262
 H    6.3156505   -2.5337913   -0.3356603  0.00    0.0001774   -0.0004652    0.0033359
 H    7.4403731   -3.0127552   -1.5999886  0.00    0.0012788    0.0021262   -0.0011912
 C    8.3535280   -0.1113880   -0.2047677  0.00    0.0026773   -0.0040718    0.0000943
 C    7.3063292    0.8264685   -0.5495931  0.00    0.0079953    0.0064050   -0.0089665
 H    7.6364927    1.8053095   -0.9068022  0.00   -0.0035765    0.0030253    0.0002672
 C    5.9583161    0.6524716   -0.3703323  0.00   -0.0010000   -0.0027461    0.0000962
 H    5.6030304   -0.2692228    0.1016526  0.00    0.0012839    0.0043965    0.0007993
 C    4.9362002    1.6144220   -0.7126733  0.00    0.0018233    0.0029309    0.0016703
 C    5.3388384    2.8832091   -1.3962256  0.00   -0.0013863   -0.0070865    0.0010996
 H    4.4765557    3.4754954   -1.7242863  0.00   -0.0044362    0.0018865   -0.0003293
 H    5.9525229    2.6708511   -2.2862583  0.00   -0.0004744    0.0000976   -0.0050805
 H    5.9501895    3.5157693   -0.7304949  0.00    0.0009964    0.0079601    0.0013704
 C    3.6352451    1.2964471   -0.3915120  0.00   -0.0019724    0.0050892    0.0026991
 H    3.4710800    0.3316678    0.1043130  0.00   -0.0006451   -0.0052761   -0.0049128
 C    2.4557590    2.0795617   -0.6247466  0.00   -0.0014808    0.0001392   -0.0037953
 H    2.5688081    3.0634491   -1.0861145  0.00    0.0018133   -0.0036968   -0.0049084
 C    1.2008617    1.6305287   -0.3016237  0.00   -0.0042410    0.0033475   -0.0076992
 H    1.1081790    0.6347618    0.1483162  0.00    0.0001152   -0.0027921    0.0012292
 C   -0.0328146    2.3440112   -0.5094423  0.00    0.0031775    0.0001602   -0.0072838
 C    0.0241405    3.7065174   -1.1248369  0.00    0.0031010   -0.0050339    0.0158812
 H   -0.9619152    4.1742803   -1.2309994  0.00    0.0006617   -0.0014830   -0.0004510
 H    0.4804540    3.6622902   -2.1275279  0.00    0.0041346   -0.0005065   -0.0056266
 H    0.6530037    4.3840787   -0.5232093  0.00    0.0012343    0.0011980   -0.0029390
 C   -1.2118183    1.7125394   -0.1370644  0.00    0.0034735    0.0003468    0.0000985
 H   -1.1534051    0.7020368    0.2817781  0.00    0.0036471    0.0039963    0.0062697
 C   -2.5111666    2.2473519   -0.2519181  0.00   -0.0010213   -0.0047810   -0.0022524
 H   -2.6703738    3.2591804   -0.6409741  0.00    0.0004692   -0.0038591   -0.0015237
 N   -3.5978361    1.5816737    0.0862137  0.00    0.0046835   -0.0033726   -0.0044236
 H   -3.4671663    0.6050267    0.4428722  0.00   -0.0006230   -0.0036235   -0.0007789
 C   -4.9353092    2.1165962    0.0233817  0.00   -0.0018112   -0.0002498   -0.0038121
 H   -4.9277158    3.0159447   -0.6134227  0.00    0.0031927    0.0015486   -0.0061366
 H   -5.5781024    1.3699647   -0.4696061  0.00   -0.0012906   -0.0000199    0.0107124
 C   -5.4943405    2.4566901    1.4042772  0.00   -0.0029584   -0.0002871   -0.0045165
 H   -5.4795991    1.5455400    2.0271837  0.00   -0.0001203   -0.0002836    0.0050385
 H   -4.8166242    3.1781497    1.8950102  0.00   -0.0020312   -0.0043019    0.0037396
 C   -6.9079906    3.0232653    1.3456432  0.00    0.0039132   -0.0018009   -0.0026424
 H   -6.9103395    3.9301373    0.7151007  0.00   -0.0000444   -0.0010477    0.0017585
 H   -7.5640180    2.3021301    0.8310384  0.00   -0.0048078   -0.0047300    0.0007878
 C   -7.4780736    3.3512723    2.7168909  0.00    0.0038002   -0.0009917   -0.0022844
 H   -8.5016512    3.7477403    2.6423659  0.00    0.0026053    0.0008407   -0.0002178
 H   -7.5184285    2.4564276    3.3582957  0.00   -0.0007132   -0.0011459    0.0005094
 H   -6.8646063    4.1026755    3.2401106  0.00   -0.0021684    0.0004940   -0.0000699
 O   -5.6618056   -1.2529435   -0.8659504  0.00   -0.0120846    0.0011873    0.0012838
 H   -4.8473891   -1.8371504   -0.5217841  0.00   -0.0030835   -0.0026040   -0.0033341
 C   -6.8107692   -1.7404503   -0.5081181  0.00    0.0114978    0.0141459   -0.0055715
 O   -7.0431550   -2.7128358    0.1594511  0.00   -0.0065694   -0.0126494    0.0062400
 C   -7.9681059   -0.9036760   -1.0997901  0.00    0.0070745   -0.0025268   -0.0005302
 F   -7.7733235    0.4096678   -0.9204053  0.00   -0.0025123   -0.0000869    0.0011710
 F   -8.0737068   -1.1172708   -2.4107622  0.00   -0.0010193   -0.0036612    0.0045192
 F   -9.1248859   -1.2197118   -0.5322477  0.00   -0.0014241   -0.0029269   -0.0048732
 O   -2.8126886   -0.8492159    0.9856973  0.00   -0.0012397   -0.0048693   -0.0007466
 C   -2.8534559   -2.0158249    0.5734720  0.00    0.0001012   -0.0007186   -0.0015802
 O   -3.7066006   -2.5945395   -0.1278826  0.00   -0.0054652   -0.0053131    0.0036824
 C   -1.6394142   -2.8791904    0.9954174  0.00   -0.0003709   -0.0039205    0.0046994
 F   -1.5404420   -2.9487520    2.3253325  0.00   -0.0005769   -0.0007183   -0.0005267
 F   -1.7024700   -4.1277253    0.5318502  0.00   -0.0036164   -0.0042684    0.0009387
 F   -0.5010022   -2.3407594    0.5369416  0.00    0.0009113    0.0008650   -0.0016232
78
 Energy =   -2041.3866448460
 C    8.2029720   -1.4857515   -0.3201025  0.00    0.0004371   -0.0139148    0.0030647
 C    9.2071879   -2.4483249    0.2308772  0.00   -0.0051911    0.0099430   -0.0000350
 C   10.2832367   -1.8201983    1.0958828  0.00   -0.0034699   -0.0041003    0.0005167
 C   10.7694271   -0.5471603    0.4322596  0.00   -0.0049983   -0.0103961    0.0013993
 C    9.6632576    0.5113992    0.3015152  0.00    0.0034768   -0.0017867    0.0011605
 C   10.1683735    1.5900537   -0.6716085  0.00   -0.0022955   -0.0018001    0.0006272
 H    9.5406499    2.4915995   -0.6753563  0.00   -0.0048623    0.0027071   -0.0001243
 H   10.2228834    1.2072800   -1.7027249  0.00    0.0006661    0.0004797    0.0029992
 H   11.1825713    1.9005571   -0.3756425  0.00   -0.0039992   -0.0002177    0.0029128
 C    9.3903860    1.1679178    1.6684269  0.00    0.0008178    0.0000208   -0.0004349
 H    8.6056502    1.9351780    1.5902124  0.00    0.0025625   -0.0046836   -0.0000050
 H   10.3055429    1.6542278    2.0412928  0.00    0.0021081    0.0028652    0.0030930
 H    9.0641429    0.4342726    2.4212312  0.00    0.0046540    0.0075812   -0.0109562
 H   11.1522183   -0.7951863   -0.5746286  0.00   -0.0001611    0.0017369    0.0048767
 H   11.6154097   -0.1074410    0.9840065  0.00    0.0001409    0.0056113    0.0035836
 H    9.8851915   -1.5999594    2.1002922  0.00   -0.0007095    0.0000284   -0.0010877
 H   11.1124803   -2.5288245    1.2415661  0.00    0.0005154   -0.0056093    0.0014906
 H    8.6637167   -3.2441291    0.7754121  0.00   -0.0003368    0.0000174   -0.0065215
 H    9.6647616   -2.9819876   -0.6274718  0.00    0.0021308    0.0000229   -0.0034850
 C    7.0695476   -2.1344916   -1.0443481  0.00   -0.0015220    0.0036829   -0.0000392
 H    6.5600996   -1.4570790   -1.7409839  0.00    0.0006079   -0.0016611   -0.0001257
 H    6.3162135   -2.5332584   -0.3384085  0.00    0.0019319    0.0000059    0.0007340
 H    7.4415400   -3.0092800   -1.6038329  0.00    0.0014626   -0.0003905   -0.0011153
 C    8.3542443   -0.1099994   -0.2060394  0.00    0.0018540    0.0022055    0.0009923
 C    7.3076551    0.8284587   -0.5518042  0.00    0.0037905    0.0029805   -0.0092888
 H    7.6374225    1.8064835   -0.9114451  0.00   -0.0017420    0.0040787    0.0019883
 C    5.9596606    0.6541333   -0.3717840  0.00    0.0007981   -0.0011328   -0.0021388
 H    5.6050557   -0.2676210    0.1003865  0.00    0.0009993    0.0039098    0.0031932
 C    4.9367324    1.6151693   -0.7146304  0.00    0.0010045    0.0020190    0.0049295
 C    5.3390592    2.8825659   -1.4004491  0.00    0.0041464   -0.0035306   -0.0030819
 H    4.4776522    3.4762084   -1.7283520  0.00   -0.0063126    0.0008756    0.0021389
 H    5.9503616    2.6675211   -2.2916531  0.00   -0.0007227    0.0008544   -0.0038045
 H    5.9536878    3.5151014   -0.7374115  0.00   -0.0018365    0.0064465    0.0001260
 C    3.6361487    1.2973075   -0.3917401  0.00   -0.0040040   -0.0003849    0.0012878
 H    3.4723703    0.3326144    0.1049194  0.00    0.0010642   -0.0015393   -0.0056633
 C    2.4558991    2.0791423   -0.6257714  0.00    0.0035597    0.0054111   -0.0068294
 H    2.5683868    3.0626521   -1.0883895  0.00    0.0016693   -0.0050923   -0.0039070
 C    1.2013071    1.6297093   -0.3027639  0.00   -0.0065656   -0.0033130   -0.0022765
 H    1.1089816    0.6342349    0.1483822  0.00    0.0013249   -0.0002854   -0.0005822
 C   -0.0329110    2.3419425   -0.5108226  0.00    0.0026797   -0.0006069   -0.0061881
 C    0.0226787    3.7043368   -1.1259586  0.00    0.0055299   -0.0021705    0.0055539
 H   -0.9638919    4.1714870   -1.2310214  0.00    0.0029596   -0.0015932   -0.0013537
 H    0.4788244    3.6608336   -2.1292984  0.00   -0.0007605   -0.0009540    0.0004051
 H    0.6518551    4.3823582   -0.5253793  0.00    0.0015284    0.0017947   -0.0002144
 C   -1.2113904    1.7095550   -0.1382293  0.00    0.0039908    0.0011430   -0.0030645
 H   -1.1518681    0.6993059    0.2810964  0.00    0.0020158    0.0042933    0.0062927
 C   -2.5110407    2.2434523   -0.2543534  0.00    0.0009666   -0.0022652    0.0022087
 H   -2.6707075    3.2549039   -0.6442415  0.00    0.0008214   -0.0046147   -0.0023537
 N   -3.5972576    1.5782471    0.0856468  0.00    0.0005518   -0.0080791   -0.0030224
 H   -3.4662922    0.6018845    0.4431986  0.00   -0.0000999   -0.0023394   -0.0015319
 C   -4.9352780    2.1120604    0.0227490  0.00   -0.0001462   -0.0006546   -0.0056263
 H   -4.9293458    3.0095424   -0.6170611  0.00    0.0032274    0.0002478   -0.0020206
 H   -5.5773737    1.3631669   -0.4674347  0.00   -0.0032638   -0.0004016    0.0080939
 C   -5.4942372    2.4536931    1.4033419  0.00    0.0007311   -0.0002285   -0.0040332
 H   -5.4802757    1.5426237    2.0265411  0.00   -0.0009182    0.0007228    0.0042296
 H   -4.8158689    3.1743395    1.8947429  0.00   -0.0040809   -0.0041787    0.0006282
 C   -6.9074359    3.0212078    1.3441094  0.00    0.0005322   -0.0023145   -0.0013125
 H   -6.9096416    3.9277904    0.7128149  0.00   -0.0000232   -0.0049532    0.0024419
 H   -7.5648579    2.2995614    0.8317047  0.00   -0.0014233   -0.0025234   -0.0019527
 C   -7.4766460    3.3506730    2.7152457  0.00    0.0021958   -0.0008172    0.0019191
 H   -8.5004283    3.7470092    2.6414338  0.00    0.0052286    0.0030123   -0.0010362
 H   -7.5175436    2.4564990    3.3575312  0.00    0.0007160   -0.0026136   -0.0000179
 H   -6.8619229    4.1015551    3.2377851  0.00   -0.0043109    0.0018373   -0.0002512
 O   -5.6654489   -1.2566554   -0.8633009  0.00   -0.0002264   -0.0009841    0.0022179
 H   -4.8509073   -1.8403807   -0.5184654  0.00   -0.0052586   -0.0032271   -0.0019963
 C   -6.8142353   -1.7447338   -0.5066150  0.00   -0.0022500    0.0077637   -0.0000107
 O   -7.0477563   -2.7169909    0.1610598  0.00   -0.0006161   -0.0068010    0.0024018
 C   -7.9712649   -0.9090996   -1.1005326  0.00    0.0040279   -0.0060887    0.0009738
 F   -7.7780573    0.4043922   -0.9214737  0.00   -0.0017583    0.0013449   -0.0000948
 F   -8.0742985   -1.1243069   -2.4113244  0.00    0.0004087   -0.0009605   -0.0000177
 F   -9.1292174   -1.2258094   -0.5355164  0.00    0.0007177   -0.0025824   -0.0023648
 O   -2.8121825   -0.8528729    0.9852822  0.00   -0.0000608   -0.0109635   -0.0014244
 C   -2.8555023   -2.0209130    0.5768379  0.00   -0.0066059    0.0057090   -0.0039149
 O   -3.7109450   -2.5998855   -0.1218137  0.00   -0.0018648   -0.0022378    0.0056116
 C   -1.6420877   -2.8848822    0.9993434  0.00   -0.0042017    0.0026655    0.0037257
 F   -1.5391299   -2.9482277    2.3292771  0.00    0.0012548   -0.0009111   -0.0023656
 F   -1.7097322   -4.1353523    0.5419587  0.00    0.0004021   -0.0049267    0.0000974
 F   -0.5043415   -2.3501797    0.5343360  0.00   -0.0018459   -0.0050723    0.0015345
78
 Energy =   -2041.3866794512
 C    8.2022557   -1.4844533   -0.3215445  0.00    0.0025722   -0.0012745    0.0027982
 C    9.2048239   -2.4480170    0.2294771  0.00   -0.0013560    0.0068334   -0.0012462
 C   10.2803323   -1.8221662    1.0964693  0.00    0.0012408   -0.0034595   -0.0022260
 C   10.7686271   -0.5490994    0.4340970  0.00   -0.0004900   -0.0035087    0.0048632
 C    9.6638569    0.5110410    0.3020624  0.00    0.0023288    0.0003703    0.0002716
 C   10.1708593    1.5896576   -0.6703469  0.00   -0.0052741    0.0054524    0.0067344
 H    9.5429868    2.4915646   -0.6754198  0.00   -0.0017050   -0.0027686    0.0016316
 H   10.2271267    1.2077739   -1.7012839  0.00    0.0014623   -0.0037218   -0.0022873
 H   11.1843841    1.9003291   -0.3723148  0.00   -0.0035075   -0.0004082    0.0024859
 C    9.3903523    1.1680198    1.6686513  0.00   -0.0008388    0.0014805    0.0011882
 H    8.6065884    1.9364553    1.5900076  0.00    0.0057995   -0.0054136   -0.0007556
 H   10.3059660    1.6519022    2.0435689  0.00    0.0018337    0.0052450    0.0003988
 H    9.0622355    0.4353730    2.4212956  0.00    0.0024283    0.0029108   -0.0098778
 H   11.1527053   -0.7961149   -0.5723505  0.00    0.0001318   -0.0014420    0.0026051
 H   11.6145830   -0.1097723    0.9868329  0.00   -0.0038873    0.0023780    0.0026800
 H    9.8816613   -1.6024084    2.1005754  0.00   -0.0024734    0.0011821    0.0005949
 H   11.1082719   -2.5324899    1.2426210  0.00   -0.0001912   -0.0022449    0.0004822
 H    8.6604844   -3.2444470    0.7717601  0.00   -0.0022760   -0.0021520   -0.0042125
 H    9.6628005   -2.9806561   -0.6294303  0.00    0.0028406    0.0005429   -0.0019826
 C    7.0695902   -2.1320993   -1.0470206  0.00   -0.0031381   -0.0009818   -0.0008813
 H    6.5599287   -1.4542082   -1.7427262  0.00   -0.0012152    0.0001334   -0.0013467
 H    6.3169915   -2.5325167   -0.3411990  0.00    0.0008537   -0.0005833   -0.0013422
 H    7.4426685   -3.0056634   -1.6078688  0.00   -0.0003279   -0.0004206   -0.0003633
 C    8.3548786   -0.1085075   -0.2073539  0.00   -0.0010847   -0.0055131    0.0004971
 C    7.3088366    0.8302821   -0.5546593  0.00   -0.0009580   -0.0031011   -0.0040912
 H    7.6380463    1.8076889   -0.9155429  0.00    0.0015509    0.0083655    0.0007428
 C    5.9609083    0.6557944   -0.3732958  0.00    0.0038898    0.0000952   -0.0049312
 H    5.6071044   -0.2660311    0.0990764  0.00    0.0003377    0.0031706    0.0056608
 C    4.9372020    1.6160406   -0.7163520  0.00   -0.0002558   -0.0007903    0.0063460
 C    5.3393346    2.8817359   -1.4049193  0.00    0.0072327    0.0039914   -0.0037517
 H    4.4785695    3.4769069   -1.7321826  0.00   -0.0059492   -0.0014113    0.0040230
 H    5.9483774    2.6642870   -2.2971959  0.00   -0.0013916    0.0006381   -0.0032285
 H    5.9571463    3.5143986   -0.7445138  0.00   -0.0050065    0.0042342   -0.0018594
 C    3.6369181    1.2981108   -0.3919811  0.00   -0.0025709   -0.0047361   -0.0007532
 H    3.4738384    0.3333704    0.1054905  0.00    0.0017393    0.0036860   -0.0067822
 C    2.4562188    2.0789181   -0.6272242  0.00    0.0003765   -0.0013425   -0.0027244
 H    2.5685480    3.0615321   -1.0910424  0.00    0.0011659    0.0001015   -0.0058874
 C    1.2017204    1.6288672   -0.3038702  0.00   -0.0008358   -0.0044443   -0.0024574
 H    1.1102478    0.6335978    0.1481340  0.00    0.0015635    0.0012992   -0.0012014
 C   -0.0329648    2.3397923   -0.5124734  0.00    0.0018895   -0.0021941   -0.0014708
 C    0.0215095    3.7020124   -1.1270466  0.00    0.0077207    0.0026704   -0.0055819
 H   -0.9652249    4.1689168   -1.2318221  0.00    0.0029842   -0.0019003   -0.0007624
 H    0.4771130    3.6587148   -2.1309785  0.00   -0.0027885   -0.0006168    0.0041106
 H    0.6509918    4.3806538   -0.5275844  0.00    0.0016572    0.0011601    0.0016776
 C   -1.2108783    1.7065757   -0.1394690  0.00    0.0035603    0.0034705   -0.0048342
 H   -1.1497958    0.6969295    0.2806739  0.00   -0.0001559    0.0015185    0.0067714
 C   -2.5109605    2.2393883   -0.2563682  0.00    0.0063686   -0.0015292    0.0029263
 H   -2.6710241    3.2501856   -0.6475258  0.00    0.0004837   -0.0031134   -0.0029597
 N   -3.5966639    1.5742977    0.0846544  0.00   -0.0074347   -0.0130070    0.0000608
 H   -3.4654738    0.5982904    0.4432723  0.00    0.0009421   -0.0014969   -0.0023421
 C   -4.9352858    2.1072931    0.0216745  0.00    0.0062896    0.0017181   -0.0014257
 H   -4.9299661    3.0031470   -0.6206687  0.00    0.0011238   -0.0008475    0.0008864
 H   -5.5771028    1.3565759   -0.4653960  0.00   -0.0058502   -0.0023179    0.0032844
 C   -5.4939072    2.4505933    1.4022023  0.00   -0.0008917   -0.0043848   -0.0047392
 H   -5.4808005    1.5396670    2.0258869  0.00   -0.0009444    0.0021092    0.0025448
 H   -4.8158704    3.1706632    1.8943756  0.00   -0.0001780   -0.0011688   -0.0008979
 C   -6.9066527    3.0189648    1.3427373  0.00   -0.0043105   -0.0038794   -0.0013480
 H   -6.9087549    3.9250122    0.7106183  0.00    0.0000978   -0.0060955    0.0021212
 H   -7.5655951    2.2970971    0.8323201  0.00    0.0016710   -0.0011599   -0.0040307
 C   -7.4750709    3.3500279    2.7137501  0.00    0.0004363   -0.0017613    0.0040701
 H   -8.4988248    3.7469294    2.6400389  0.00    0.0084201    0.0030945   -0.0007249
 H   -7.5165901    2.4561500    3.3566224  0.00    0.0011808   -0.0009198   -0.0007549
 H   -6.8591657    4.1005369    3.2354254  0.00   -0.0055764    0.0024290    0.0004909
 O   -5.6692211   -1.2603699   -0.8605405  0.00    0.0061324   -0.0024401    0.0029709
 H   -4.8553611   -1.8438345   -0.5151260  0.00   -0.0031428   -0.0045579    0.0001431
 C   -6.8179557   -1.7490511   -0.5049388  0.00   -0.0107347   -0.0042420    0.0077792
 O   -7.0521068   -2.7215002    0.1627718  0.00    0.0041877    0.0050799   -0.0049843
 C   -7.9743579   -0.9147416   -1.1013299  0.00   -0.0027172   -0.0034348    0.0006382
 F   -7.7829836    0.3991958   -0.9228679  0.00   -0.0001161   -0.0013860   -0.0007556
 F   -8.0745511   -1.1314327   -2.4120361  0.00    0.0018682    0.0004755   -0.0022233
 F   -9.1335425   -1.2319261   -0.5389230  0.00    0.0028985   -0.0030515   -0.0004336
 O   -2.8112949   -0.8569062    0.9850054  0.00   -0.0006203   -0.0044591    0.0012528
 C   -2.8576504   -2.0259801    0.5803150  0.00   -0.0085683   -0.0005555   -0.0066482
 O   -3.7152073   -2.6052977   -0.1155148  0.00   -0.0018557   -0.0000919    0.0053167
 C   -1.6448516   -2.8906165    1.0035362  0.00   -0.0030231    0.0002432   -0.0032303
 F   -1.5372765   -2.9478735    2.3331698  0.00    0.0009620   -0.0008594   -0.0003817
 F   -1.7163459   -4.1434271    0.5522346  0.00    0.0008608    0.0000374    0.0014928
 F   -0.5077290   -2.3601304    0.5317530  0.00   -0.0037778   -0.0071397    0.0040689
78
 Energy =   -2041.3867098342
 C    8.2015732   -1.4830654   -0.3226780  0.00   -0.0000496    0.0052602   -0.0018231
 C    9.2025936   -2.4474588    0.2281834  0.00    0.0024748   -0.0018919   -0.0026205
 C   10.2777298   -1.8240294    1.0969534  0.00    0.0023754   -0.0004273    0.0002451
 C   10.7676823   -0.5508958    0.4358884  0.00    0.0023501    0.0027619    0.0029602
 C    9.6642063    0.5108521    0.3026627  0.00    0.0008648    0.0000125    0.0018146
 C   10.1727538    1.5893921   -0.6690116  0.00   -0.0003157    0.0008017    0.0048274
 H    9.5451327    2.4914336   -0.6747483  0.00   -0.0018976   -0.0029853    0.0008916
 H   10.2307576    1.2069570   -1.6999150  0.00    0.0008530   -0.0008582    0.0010125
 H   11.1860145    1.8995397   -0.3691666  0.00   -0.0048476   -0.0001017    0.0012361
 C    9.3902533    1.1682764    1.6690734  0.00    0.0024200    0.0030661   -0.0031997
 H    8.6074539    1.9373952    1.5895750  0.00    0.0053018   -0.0023866   -0.0011555
 H   10.3063086    1.6505240    2.0455850  0.00   -0.0012364    0.0044407   -0.0016628
 H    9.0598704    0.4363235    2.4206589  0.00    0.0008113   -0.0032265   -0.0035797
 H   11.1532043   -0.7972151   -0.5701680  0.00   -0.0007184   -0.0028857    0.0021606
 H   11.6133142   -0.1119772    0.9894685  0.00   -0.0039191    0.0011683    0.0040274
 H    9.8781628   -1.6043694    2.1008484  0.00   -0.0019048    0.0004312   -0.0007219
 H   11.1046950   -2.5356966    1.2434906  0.00   -0.0020026    0.0007180   -0.0001809
 H    8.6569949   -3.2443952    0.7683857  0.00   -0.0017667   -0.0029181   -0.0034015
 H    9.6611989   -2.9792712   -0.6312463  0.00    0.0014091    0.0019721    0.0010718
 C    7.0694235   -2.1298457   -1.0496018  0.00   -0.0021016   -0.0017983   -0.0001749
 H    6.5595040   -1.4514387   -1.7444281  0.00   -0.0020736    0.0013997   -0.0016876
 H    6.3175508   -2.5316925   -0.3439430  0.00   -0.0010963   -0.0016055   -0.0023033
 H    7.4432518   -3.0022113   -1.6118116  0.00   -0.0007384   -0.0012386    0.0000528
 C    8.3551734   -0.1071645   -0.2083256  0.00   -0.0015270   -0.0076278   -0.0006448
 C    7.3097872    0.8318845   -0.5575564  0.00   -0.0002705   -0.0043232    0.0013112
 H    7.6390838    1.8090541   -0.9189904  0.00    0.0017166    0.0079059    0.0002087
 C    5.9620463    0.6572877   -0.3748826  0.00    0.0025700   -0.0006844   -0.0049692
 H    5.6087797   -0.2645155    0.0979286  0.00    0.0011939    0.0032466    0.0068644
 C    4.9375950    1.6167485   -0.7177372  0.00    0.0011081    0.0003147    0.0024455
 C    5.3399160    2.8809924   -1.4092440  0.00    0.0011365    0.0044972   -0.0004829
 H    4.4791996    3.4769141   -1.7352662  0.00   -0.0063867   -0.0012794    0.0038756
 H    5.9464100    2.6616432   -2.3027021  0.00   -0.0002807   -0.0003849   -0.0034024
 H    5.9597304    3.5138333   -0.7510007  0.00   -0.0039173    0.0046207   -0.0018709
 C    3.6374875    1.2986884   -0.3922605  0.00    0.0027275   -0.0009839   -0.0049500
 H    3.4752361    0.3344208    0.1060313  0.00    0.0008912    0.0018518   -0.0047996
 C    2.4565516    2.0787373   -0.6285628  0.00   -0.0015591   -0.0040975   -0.0016202
 H    2.5690080    3.0606517   -1.0937974  0.00   -0.0003832    0.0006999   -0.0054167
 C    1.2021944    1.6280139   -0.3048984  0.00    0.0043202   -0.0019592   -0.0042752
 H    1.1118007    0.6330518    0.1477196  0.00    0.0008854   -0.0001511   -0.0002076
 C   -0.0328936    2.3377346   -0.5140419  0.00    0.0019349   -0.0011025    0.0015178
 C    0.0206893    3.6999515   -1.1283275  0.00    0.0059889    0.0039007   -0.0061143
 H   -0.9664059    4.1661683   -1.2327421  0.00    0.0032448   -0.0011144   -0.0003672
 H    0.4754784    3.6565854   -2.1323743  0.00   -0.0010980   -0.0001937    0.0004344
 H    0.6503962    4.3791403   -0.5296610  0.00    0.0007711    0.0000138    0.0022166
 C   -1.2102953    1.7038278   -0.1406808  0.00    0.0021235    0.0036027   -0.0040897
 H   -1.1479359    0.6947989    0.2804930  0.00   -0.0014148   -0.0007064    0.0066205
 C   -2.5107888    2.2355227   -0.2579555  0.00    0.0049387   -0.0036199    0.0026365
 H   -2.6712880    3.2455890   -0.6505243  0.00   -0.0001481   -0.0011379   -0.0029962
 N   -3.5963425    1.5702588    0.0835736  0.00   -0.0015545   -0.0134942    0.0004603
 H   -3.4646947    0.5946375    0.4428902  0.00    0.0011254   -0.0030473   -0.0016082
 C   -4.9349333    2.1027028    0.0204735  0.00    0.0009100    0.0007304    0.0006059
 H   -4.9298482    2.9973124   -0.6237827  0.00   -0.0014272   -0.0019639    0.0027254
 H   -5.5773607    1.3504300   -0.4637362  0.00   -0.0030325    0.0004983    0.0004713
 C   -5.4935677    2.4474148    1.4008021  0.00   -0.0014656   -0.0025395   -0.0009539
 H   -5.4811511    1.5370231    2.0253891  0.00   -0.0008920    0.0015738    0.0005206
 H   -4.8158848    3.1672167    1.8938306  0.00    0.0017550   -0.0002511   -0.0037901
 C   -6.9060575    3.0166344    1.3413909  0.00   -0.0047204   -0.0040691    0.0007937
 H   -6.9079677    3.9221767    0.7086366  0.00    0.0002353   -0.0057982    0.0012707
 H   -7.5659973    2.2947284    0.8321973  0.00    0.0023285   -0.0005961   -0.0041423
 C   -7.4734344    3.3493935    2.7126942  0.00   -0.0000975   -0.0025174   -0.0003932
 H   -8.4969245    3.7472399    2.6388898  0.00    0.0099285    0.0021156    0.0002570
 H   -7.5152446    2.4558378    3.3558943  0.00    0.0003069   -0.0011103    0.0004541
 H   -6.8566030    4.0996463    3.2335860  0.00   -0.0052468    0.0027589    0.0002591
 O   -5.6723924   -1.2641057   -0.8575315  0.00    0.0013484   -0.0004466    0.0004358
 H   -4.8597095   -1.8475060   -0.5119069  0.00    0.0005498   -0.0065591    0.0036022
 C   -6.8215782   -1.7532854   -0.5033188  0.00   -0.0023473   -0.0039658    0.0086708
 O   -7.0555049   -2.7256815    0.1643909  0.00    0.0007539    0.0041507   -0.0043047
 C   -7.9769636   -0.9199748   -1.1021030  0.00   -0.0031915   -0.0008224   -0.0014434
 F   -7.7867319    0.3942632   -0.9243009  0.00    0.0000731   -0.0030206   -0.0000616
 F   -8.0738971   -1.1377839   -2.4128410  0.00    0.0007393    0.0005992   -0.0034304
 F   -9.1370413   -1.2374963   -0.5420610  0.00    0.0006368   -0.0033796    0.0005959
 O   -2.8105522   -0.8605751    0.9849258  0.00   -0.0022078    0.0011534    0.0026447
 C   -2.8600840   -2.0305533    0.5835517  0.00   -0.0023394   -0.0052840   -0.0055444
 O   -3.7193949   -2.6101803   -0.1095208  0.00   -0.0042928   -0.0016852    0.0027473
 C   -1.6477050   -2.8959041    1.0072871  0.00   -0.0007671   -0.0045890   -0.0035150
 F   -1.5357002   -2.9475439    2.3367844  0.00   -0.0015340   -0.0005960    0.0001178
 F   -1.7223571   -4.1508206    0.5617698  0.00   -0.0025409    0.0015159    0.0020177
 F   -0.5109357   -2.3702193    0.5297356  0.00   -0.0022475   -0.0028103    0.0029542
78
 Energy =   -2041.3867338723
 C    8.2008247   -1.4816091   -0.3239818  0.00   -0.0016485    0.0002672   -0.0041855
 C    9.2006261   -2.4472078    0.2270612  0.00    0.0005375   -0.0017025   -0.0012515
 C   10.2752894   -1.8255968    1.0976733  0.00   -0.0015181    0.0029255    0.0019276
 C   10.7668808   -0.5524806    0.4376846  0.00   -0.0002161    0.0048814   -0.0011298
 C    9.6644436    0.5106161    0.3034403  0.00    0.0007293   -0.0014291   -0.0009523
 C   10.1744142    1.5890965   -0.6674057  0.00    0.0039282   -0.0061473    0.0006138
 H    9.5471600    2.4911588   -0.6732557  0.00   -0.0033957   -0.0008203   -0.0005245
 H   10.2337771    1.2062488   -1.6983603  0.00    0.0002908    0.0024846    0.0043067
 H   11.1874008    1.8985218   -0.3660261  0.00   -0.0041108    0.0007452    0.0005988
 C    9.3902298    1.1687073    1.6691611  0.00    0.0015272    0.0001720   -0.0023696
 H    8.6082397    1.9382039    1.5885780  0.00    0.0031691    0.0011380   -0.0012681
 H   10.3063832    1.6501448    2.0466447  0.00   -0.0024300    0.0030429   -0.0017313
 H    9.0576023    0.4370224    2.4197520  0.00    0.0016184   -0.0042521    0.0007041
 H   11.1531919   -0.7987218   -0.5681704  0.00   -0.0008788   -0.0027170    0.0031816
 H   11.6120405   -0.1140768    0.9919708  0.00   -0.0009799    0.0015216    0.0061760
 H    9.8744015   -1.6059198    2.1012326  0.00   -0.0003251   -0.0005141   -0.0028388
 H   11.1012160   -2.5382999    1.2447194  0.00   -0.0011906    0.0011965    0.0001700
 H    8.6534949   -3.2443430    0.7654650  0.00   -0.0004249   -0.0029102   -0.0031577
 H    9.6599240   -2.9781086   -0.6324281  0.00    0.0017361    0.0008484   -0.0000052
 C    7.0689419   -2.1277341   -1.0522068  0.00   -0.0019098    0.0013416   -0.0006155
 H    6.5586472   -1.4489621   -1.7465693  0.00   -0.0007531    0.0010874    0.0004095
 H    6.3173938   -2.5309968   -0.3470711  0.00   -0.0016774   -0.0018912   -0.0025747
 H    7.4434249   -2.9988817   -1.6156138  0.00   -0.0000797   -0.0036795   -0.0004734
 C    8.3552920   -0.1060500   -0.2091866  0.00    0.0009567   -0.0038158   -0.0007966
 C    7.3107215    0.8334181   -0.5601005  0.00    0.0026478    0.0003520    0.0028093
 H    7.6402446    1.8107443   -0.9221479  0.00   -0.0001385    0.0011400    0.0021289
 C    5.9631641    0.6586802   -0.3766231  0.00   -0.0013372   -0.0019969   -0.0023114
 H    5.6101553   -0.2628925    0.0970421  0.00    0.0030405    0.0040160    0.0066594
 C    4.9380337    1.6174162   -0.7192131  0.00    0.0035274    0.0038666   -0.0024899
 C    5.3404419    2.8805160   -1.4135081  0.00   -0.0048032   -0.0000263    0.0017726
 H    4.4794914    3.4765020   -1.7381418  0.00   -0.0091667    0.0007177    0.0017871
 H    5.9445901    2.6594856   -2.3082386  0.00   -0.0001333   -0.0002991   -0.0010314
 H    5.9612317    3.5140109   -0.7571408  0.00   -0.0005630    0.0052191   -0.0010601
 C    3.6380973    1.2993529   -0.3925914  0.00    0.0070139    0.0033678   -0.0092617
 H    3.4766228    0.3357096    0.1066646  0.00    0.0000536   -0.0010628   -0.0026417
 C    2.4567838    2.0785513   -0.6298724  0.00    0.0006179   -0.0027273   -0.0030833
 H    2.5690899    3.0599993   -1.0965658  0.00   -0.0017053   -0.0018698   -0.0035754
 C    1.2027360    1.6271071   -0.3059975  0.00    0.0062378   -0.0001633   -0.0035214
 H    1.1133030    0.6325919    0.1475252  0.00    0.0004575   -0.0017643    0.0003225
 C   -0.0326998    2.3357718   -0.5154162  0.00    0.0031289    0.0036905    0.0001338
 C    0.0199282    3.6982116   -1.1298135  0.00    0.0030259   -0.0008333   -0.0010804
 H   -0.9678426    4.1630027   -1.2333783  0.00    0.0032255    0.0013667   -0.0009942
 H    0.4738319    3.6549097   -2.1338612  0.00    0.0009817   -0.0001463   -0.0050082
 H    0.6496368    4.3779205   -0.5317650  0.00    0.0000889   -0.0003780    0.0028599
 C   -1.2096630    1.7012912   -0.1419557  0.00    0.0010960   -0.0039518    0.0005931
 H   -1.1466866    0.6926624    0.2806253  0.00   -0.0009075    0.0015123    0.0042074
 C   -2.5104916    2.2315822   -0.2595861  0.00   -0.0026180    0.0001294    0.0006117
 H   -2.6715245    3.2411172   -0.6535673  0.00   -0.0005454   -0.0021055   -0.0018206
 N   -3.5960340    1.5661184    0.0823528  0.00    0.0062609   -0.0121266   -0.0005709
 H   -3.4637463    0.5907992    0.4420585  0.00   -0.0000654   -0.0046852   -0.0002069
 C   -4.9346272    2.0981050    0.0192418  0.00   -0.0058723   -0.0034631    0.0020441
 H   -4.9302498    2.9914665   -0.6267685  0.00   -0.0023404   -0.0017511    0.0037555
 H   -5.5778901    1.3444979   -0.4622331  0.00    0.0010572    0.0028998   -0.0019860
 C   -5.4933451    2.4440902    1.3992954  0.00    0.0001881    0.0021870    0.0038244
 H   -5.4817695    1.5344676    2.0249557  0.00   -0.0003893   -0.0006777   -0.0012365
 H   -4.8153990    3.1634680    1.8929534  0.00    0.0004325   -0.0001895   -0.0069440
 C   -6.9057047    3.0140692    1.3399080  0.00   -0.0004629   -0.0012190    0.0032598
 H   -6.9073011    3.9193117    0.7067425  0.00    0.0001882   -0.0061530    0.0003872
 H   -7.5662057    2.2921661    0.8314606  0.00    0.0014321   -0.0004710   -0.0032362
 C   -7.4716625    3.3486403    2.7115806  0.00    0.0020469   -0.0035747   -0.0013393
 H   -8.4945948    3.7475544    2.6381269  0.00    0.0071436    0.0022112    0.0002740
 H   -7.5137994    2.4556159    3.3554776  0.00   -0.0003210   -0.0012225    0.0006827
 H   -6.8539941    4.0988236    3.2318768  0.00   -0.0051664    0.0010325   -0.0023689
 O   -5.6749784   -1.2678951   -0.8543968  0.00   -0.0022278   -0.0007084   -0.0010358
 H   -4.8631828   -1.8516669   -0.5084137  0.00    0.0011682   -0.0063519    0.0061071
 C   -6.8247495   -1.7574597   -0.5017281  0.00    0.0071266    0.0037061    0.0036837
 O   -7.0587607   -2.7295715    0.1658511  0.00   -0.0035506   -0.0042332    0.0013550
 C   -7.9791605   -0.9249124   -1.1028772  0.00    0.0007151   -0.0010656   -0.0017126
 F   -7.7895811    0.3894060   -0.9253180  0.00   -0.0012765   -0.0021684    0.0006731
 F   -8.0729664   -1.1433707   -2.4136789  0.00   -0.0011829    0.0004701   -0.0047949
 F   -9.1399316   -1.2429478   -0.5449544  0.00   -0.0026491   -0.0026226    0.0006542
 O   -2.8104530   -0.8642462    0.9850260  0.00   -0.0012361    0.0001785    0.0017226
 C   -2.8623829   -2.0352148    0.5866520  0.00    0.0000669   -0.0040689   -0.0028858
 O   -3.7236186   -2.6152558   -0.1034818  0.00   -0.0040360   -0.0034797    0.0003627
 C   -1.6505149   -2.9013757    1.0109493  0.00   -0.0023432   -0.0040773    0.0000454
 F   -1.5351528   -2.9475426    2.3404846  0.00   -0.0023270   -0.0002586   -0.0010507
 F   -1.7288161   -4.1580518    0.5712372  0.00   -0.0036938   -0.0004466    0.0004765
 F   -0.5138298   -2.3804814    0.5284156  0.00   -0.0013083   -0.0000642    0.0021933
78
 Energy =   -2041.3867638605
 C    8.1996985   -1.4803223   -0.3255870  0.00   -0.0000620   -0.0108949   -0.0015603
 C    9.1983778   -2.4472589    0.2264202  0.00   -0.0036295    0.0034087   -0.0016549
 C   10.2725159   -1.8266806    1.0986943  0.00   -0.0055572    0.0029789   -0.0012292
 C   10.7659534   -0.5538066    0.4393317  0.00   -0.0045642    0.0019467   -0.0031446
 C    9.6645185    0.5101311    0.3039883  0.00    0.0004088   -0.0011529   -0.0027741
 C   10.1758938    1.5885583   -0.6656468  0.00    0.0006139   -0.0025941   -0.0025971
 H    9.5488336    2.4908019   -0.6716240  0.00   -0.0036239   -0.0014758   -0.0005753
 H   10.2361576    1.2067123   -1.6967028  0.00    0.0011231    0.0008507    0.0011519
 H   11.1881885    1.8980590   -0.3630596  0.00    0.0005858    0.0007864    0.0017470
 C    9.3898510    1.1690360    1.6688037  0.00   -0.0032442   -0.0031682   -0.0003159
 H    8.6086348    1.9390472    1.5866661  0.00    0.0015893    0.0014036   -0.0000133
 H   10.3057177    1.6503146    2.0466997  0.00   -0.0000742    0.0026264   -0.0001219
 H    9.0557550    0.4373988    2.4188144  0.00    0.0020943   -0.0018982    0.0028213
 H   11.1521717   -0.8005153   -0.5664027  0.00    0.0012122   -0.0024832    0.0033235
 H   11.6108005   -0.1160145    0.9942292  0.00    0.0014987    0.0018567    0.0070057
 H    9.8704127   -1.6069711    2.1016112  0.00   -0.0005476    0.0001480   -0.0006262
 H   11.0971926   -2.5404670    1.2464039  0.00    0.0014131    0.0008598    0.0009185
 H    8.6497302   -3.2446576    0.7630616  0.00    0.0011439   -0.0011263   -0.0025472
 H    9.6587801   -2.9775496   -0.6326079  0.00    0.0021869   -0.0004363   -0.0026980
 C    7.0679379   -2.1255730   -1.0549335  0.00   -0.0026774    0.0019435   -0.0008288
 H    6.5576138   -1.4463957   -1.7490755  0.00    0.0008074    0.0003566    0.0022851
 H    6.3161068   -2.5303687   -0.3507782  0.00    0.0001935   -0.0004901   -0.0033342
 H    7.4432788   -2.9957269   -1.6190956  0.00   -0.0001359   -0.0057538   -0.0018392
 C    8.3552931   -0.1053114   -0.2101670  0.00    0.0028641    0.0051994   -0.0006594
 C    7.3115620    0.8348680   -0.5619461  0.00    0.0018689    0.0037750    0.0018011
 H    7.6407958    1.8126282   -0.9242332  0.00   -0.0002725   -0.0054101    0.0039634
 C    5.9640002    0.6598925   -0.3784103  0.00   -0.0010472   -0.0001233    0.0010860
 H    5.6112470   -0.2611478    0.0965582  0.00    0.0036181    0.0038514    0.0056101
 C    4.9385909    1.6182685   -0.7209954  0.00    0.0043021    0.0048120   -0.0040825
 C    5.3404802    2.8803441   -1.4176588  0.00   -0.0049566   -0.0005531    0.0024748
 H    4.4791584    3.4761012   -1.7412070  0.00   -0.0116385    0.0013304   -0.0008995
 H    5.9432507    2.6579930   -2.3132170  0.00   -0.0015300    0.0007529    0.0020244
 H    5.9615607    3.5153035   -0.7629862  0.00    0.0014471    0.0033440   -0.0010618
 C    3.6389379    1.3003455   -0.3930323  0.00    0.0062948    0.0013999   -0.0113216
 H    3.4780531    0.3371352    0.1074740  0.00    0.0004894    0.0004926   -0.0030922
 C    2.4569425    2.0782735   -0.6313759  0.00    0.0057888    0.0017318   -0.0047302
 H    2.5683855    3.0594735   -1.0992799  0.00   -0.0016966   -0.0049885   -0.0021155
 C    1.2034018    1.6261979   -0.3071340  0.00    0.0039580   -0.0015487    0.0005387
 H    1.1147202    0.6321067    0.1477032  0.00    0.0004461   -0.0004326   -0.0009723
 C   -0.0323485    2.3341314   -0.5165885  0.00    0.0002062    0.0017631   -0.0015129
 C    0.0191975    3.6965704   -1.1314212  0.00    0.0012763   -0.0024283   -0.0017912
 H   -0.9692226    4.1602188   -1.2341342  0.00    0.0038854    0.0021962   -0.0013808
 H    0.4722111    3.6537044   -2.1360161  0.00    0.0005462   -0.0007501   -0.0030376
 H    0.6485858    4.3770589   -0.5339011  0.00    0.0002067   -0.0011566    0.0028681
 C   -1.2090187    1.6987072   -0.1432350  0.00    0.0015438   -0.0020037    0.0029794
 H   -1.1461358    0.6908839    0.2811161  0.00    0.0020948   -0.0005901    0.0027730
 C   -2.5102144    2.2277164   -0.2612748  0.00   -0.0065889    0.0011123   -0.0010777
 H   -2.6718374    3.2366144   -0.6564711  0.00   -0.0013840   -0.0007594   -0.0014545
 N   -3.5954605    1.5616912    0.0808539  0.00    0.0010536   -0.0082610   -0.0011284
 H   -3.4626435    0.5864888    0.4408156  0.00   -0.0012326   -0.0041144    0.0005669
 C   -4.9347388    2.0933981    0.0181369  0.00   -0.0010894   -0.0060851    0.0030334
 H   -4.9316621    2.9855728   -0.6295661  0.00   -0.0006853   -0.0013044    0.0051733
 H   -5.5784921    1.3391195   -0.4611619  0.00    0.0015990   -0.0004490   -0.0049750
 C   -5.4930886    2.4407518    1.3979752  0.00    0.0024574    0.0024696    0.0037849
 H   -5.4826008    1.5317848    2.0244448  0.00    0.0009290   -0.0028608   -0.0015288
 H   -4.8142815    3.1594993    1.8913873  0.00   -0.0011463    0.0013337   -0.0072680
 C   -6.9052142    3.0113070    1.3384280  0.00    0.0038563    0.0015206    0.0035070
 H   -6.9064774    3.9162668    0.7049674  0.00    0.0002234   -0.0056078   -0.0009529
 H   -7.5661761    2.2895105    0.8303268  0.00    0.0011966   -0.0001390   -0.0011948
 C   -7.4695400    3.3475992    2.7102303  0.00    0.0018556   -0.0037195    0.0011350
 H   -8.4916019    3.7480132    2.6372681  0.00    0.0015510    0.0026948   -0.0004988
 H   -7.5126870    2.4552061    3.3550277  0.00    0.0004308   -0.0002748    0.0003691
 H   -6.8512035    4.0980235    3.2296003  0.00   -0.0038319   -0.0016150   -0.0037565
 O   -5.6766781   -1.2719209   -0.8514582  0.00    0.0016621   -0.0042605    0.0013725
 H   -4.8652931   -1.8564710   -0.5044478  0.00   -0.0017551   -0.0035812    0.0060730
 C   -6.8268892   -1.7613205   -0.5001082  0.00    0.0026804    0.0045191   -0.0026984
 O   -7.0622372   -2.7332912    0.1671157  0.00   -0.0016071   -0.0058543    0.0039079
 C   -7.9807172   -0.9293556   -1.1036622  0.00    0.0022384   -0.0033671    0.0010665
 F   -7.7917657    0.3848784   -0.9256346  0.00   -0.0021214    0.0006101    0.0003336
 F   -8.0723435   -1.1477579   -2.4146525  0.00   -0.0010123    0.0002051   -0.0033002
 F   -9.1422784   -1.2480066   -0.5474991  0.00   -0.0015521   -0.0014570   -0.0009324
 O   -2.8106046   -0.8680396    0.9853149  0.00    0.0014332   -0.0084205   -0.0022107
 C   -2.8640909   -2.0400767    0.5895873  0.00   -0.0052625    0.0020326    0.0008983
 O   -3.7274636   -2.6208308   -0.0974585  0.00   -0.0007327   -0.0018461   -0.0010019
 C   -1.6532235   -2.9072314    1.0147977  0.00   -0.0059384    0.0029793    0.0015560
 F   -1.5360270   -2.9481856    2.3443447  0.00    0.0000663   -0.0004859   -0.0011426
 F   -1.7357875   -4.1653334    0.5805865  0.00   -0.0003666   -0.0029731   -0.0024116
 F   -0.5162897   -2.3905697    0.5280869  0.00   -0.0036259   -0.0029471    0.0043748
78
 Energy =   -2041.3867898732
 C    8.1982785   -1.4796279   -0.3269738  0.00    0.0020304   -0.0018311    0.0006761
 C    9.1955592   -2.4471891    0.2260564  0.00   -0.0013572    0.0032405   -0.0060330
 C   10.2692532   -1.8275946    1.0994463  0.00   -0.0035601    0.0012645   -0.0029449
 C   10.7644814   -0.5550618    0.4405623  0.00   -0.0008840    0.0007727    0.0007714
 C    9.6643827    0.5096189    0.3041611  0.00   -0.0026626    0.0011855   -0.0031118
 C   10.1771100    1.5880087   -0.6643445  0.00   -0.0010734    0.0050372   -0.0017413
 H    9.5501521    2.4904422   -0.6709917  0.00   -0.0038392   -0.0031735    0.0002285
 H   10.2386782    1.2073868   -1.6953410  0.00    0.0020910   -0.0029726   -0.0046930
 H   11.1886482    1.8981432   -0.3603427  0.00    0.0031134   -0.0004059    0.0025288
 C    9.3888762    1.1690446    1.6683080  0.00   -0.0036691   -0.0030470    0.0030610
 H    8.6086490    1.9399104    1.5849999  0.00    0.0005358    0.0004938    0.0005635
 H   10.3045989    1.6499282    2.0470085  0.00    0.0007300    0.0019278   -0.0000262
 H    9.0536021    0.4377169    2.4181210  0.00    0.0015090   -0.0007500    0.0032248
 H   11.1512706   -0.8019982   -0.5646842  0.00    0.0027168   -0.0034719    0.0007999
 H   11.6092877   -0.1178588    0.9963093  0.00   -0.0002795    0.0002414    0.0057595
 H    9.8665582   -1.6077623    2.1018262  0.00   -0.0019631    0.0012327    0.0029897
 H   11.0929726   -2.5424847    1.2477345  0.00    0.0011520    0.0025639    0.0009463
 H    8.6459287   -3.2449834    0.7607439  0.00    0.0005527   -0.0021567    0.0003837
 H    9.6572245   -2.9768972   -0.6326284  0.00    0.0017030   -0.0010994   -0.0037933
 C    7.0667904   -2.1232879   -1.0575990  0.00   -0.0019085   -0.0036795   -0.0011544
 H    6.5570488   -1.4432079   -1.7511517  0.00    0.0001863    0.0005442    0.0016429
 H    6.3147344   -2.5294652   -0.3543804  0.00    0.0004639    0.0002502   -0.0042831
 H    7.4429896   -2.9927079   -1.6225169  0.00   -0.0020235   -0.0051569   -0.0022509
 C    8.3552382   -0.1045880   -0.2112652  0.00    0.0002645    0.0019529   -0.0011001
 C    7.3120936    0.8361347   -0.5633950  0.00   -0.0003425    0.0011417    0.0031328
 H    7.6410094    1.8141085   -0.9249564  0.00    0.0018414   -0.0039519    0.0020279
 C    5.9645105    0.6610168   -0.3799289  0.00    0.0035666    0.0029751    0.0031053
 H    5.6122861   -0.2595442    0.0961956  0.00    0.0021444    0.0028242    0.0049334
 C    4.9391862    1.6192911   -0.7227359  0.00    0.0017057    0.0022702   -0.0036571
 C    5.3402053    2.8802458   -1.4215944  0.00   -0.0035967    0.0047797    0.0049686
 H    4.4784583    3.4759240   -1.7444157  0.00   -0.0108007   -0.0003456   -0.0019445
 H    5.9421474    2.6568343   -2.3173946  0.00   -0.0019634    0.0006263    0.0011042
 H    5.9619694    3.5165471   -0.7686000  0.00    0.0007168    0.0010057   -0.0018357
 C    3.6398738    1.3014045   -0.3935975  0.00    0.0047891   -0.0023270   -0.0118181
 H    3.4794799    0.3386061    0.1082924  0.00    0.0012970    0.0035032   -0.0044798
 C    2.4573176    2.0780482   -0.6330518  0.00    0.0028396   -0.0003731   -0.0015468
 H    2.5675577    3.0587116   -1.1018660  0.00   -0.0003344   -0.0019052   -0.0038645
 C    1.2041448    1.6254200   -0.3080604  0.00    0.0035083   -0.0008057    0.0011835
 H    1.1162230    0.6315973    0.1477196  0.00    0.0003186    0.0010295   -0.0015379
 C   -0.0321255    2.3326285   -0.5177148  0.00   -0.0008760   -0.0014548   -0.0020184
 C    0.0186229    3.6948831   -1.1331168  0.00    0.0012789   -0.0015371   -0.0057160
 H   -0.9698307    4.1585698   -1.2356157  0.00    0.0029350    0.0006917   -0.0006321
 H    0.4707820    3.6519581   -2.1384147  0.00    0.0001529   -0.0006787    0.0019653
 H    0.6477126    4.3759556   -0.5359019  0.00    0.0012845   -0.0020549    0.0016877
 C   -1.2084138    1.6962583   -0.1443719  0.00    0.0008276   -0.0010772    0.0061886
 H   -1.1449693    0.6890344    0.2816304  0.00    0.0030379    0.0003139    0.0003944
 C   -2.5101788    2.2240585   -0.2625886  0.00   -0.0054608    0.0014699   -0.0046170
 H   -2.6726496    3.2324913   -0.6589075  0.00   -0.0011303   -0.0017926    0.0000808
 N   -3.5949592    1.5571017    0.0791995  0.00   -0.0063889   -0.0062698    0.0010375
 H   -3.4618293    0.5819264    0.4395930  0.00   -0.0009768   -0.0015252    0.0000822
 C   -4.9348192    2.0887394    0.0172156  0.00    0.0042834   -0.0052116    0.0011779
 H   -4.9327160    2.9800590   -0.6318176  0.00    0.0009132   -0.0016074    0.0066480
 H   -5.5789477    1.3342797   -0.4608164  0.00    0.0009300   -0.0039760   -0.0058700
 C   -5.4924959    2.4376228    1.3969262  0.00    0.0025598   -0.0022567    0.0005596
 H   -5.4827322    1.5289797    2.0238313  0.00    0.0020237   -0.0027490   -0.0005371
 H   -4.8132261    3.1562061    1.8894060  0.00    0.0007166    0.0034703   -0.0050704
 C   -6.9042383    3.0087690    1.3373191  0.00    0.0033379   -0.0010797    0.0000119
 H   -6.9051901    3.9130655    0.7032707  0.00    0.0005815   -0.0022698   -0.0025026
 H   -7.5659605    2.2872880    0.8294312  0.00    0.0027245    0.0002218    0.0011641
 C   -7.4674234    3.3464787    2.7089229  0.00   -0.0011196   -0.0031211    0.0024977
 H   -8.4885364    3.7489505    2.6359700  0.00   -0.0018161    0.0011923   -0.0006620
 H   -7.5117745    2.4544821    3.3543825  0.00    0.0008558    0.0024389   -0.0000028
 H   -6.8484599    4.0971193    3.2269564  0.00   -0.0007711   -0.0024497   -0.0014136
 O   -5.6780252   -1.2761870   -0.8487552  0.00    0.0047892   -0.0029355    0.0023165
 H   -4.8673572   -1.8612511   -0.5005521  0.00   -0.0010871   -0.0030808    0.0061406
 C   -6.8286452   -1.7648733   -0.4985132  0.00   -0.0064022   -0.0068975   -0.0032833
 O   -7.0654106   -2.7370143    0.1683844  0.00    0.0015711    0.0030447    0.0001994
 C   -7.9818656   -0.9334147   -1.1043728  0.00   -0.0027009   -0.0016525    0.0012359
 F   -7.7938844    0.3809268   -0.9259120  0.00   -0.0005980    0.0005070   -0.0003323
 F   -8.0718196   -1.1515815   -2.4157306  0.00    0.0012564   -0.0002760    0.0026169
 F   -9.1443766   -1.2523087   -0.5498749  0.00    0.0021493   -0.0019475   -0.0028870
 O   -2.8099060   -0.8718230    0.9855645  0.00    0.0009658   -0.0059382   -0.0033374
 C   -2.8655521   -2.0445626    0.5924686  0.00   -0.0074008   -0.0031058    0.0008497
 O   -3.7306032   -2.6260099   -0.0920202  0.00   -0.0004088    0.0010849   -0.0012104
 C   -1.6558953   -2.9127145    1.0186014  0.00   -0.0049099    0.0020523    0.0015343
 F   -1.5367123   -2.9490236    2.3480831  0.00    0.0007127   -0.0010811   -0.0009823
 F   -1.7419891   -4.1723484    0.5891007  0.00    0.0008784   -0.0003824   -0.0018740
 F   -0.5187171   -2.4001215    0.5281795  0.00   -0.0043637   -0.0039720    0.0049480
78
 Energy =   -2041.3868181594
 C    8.1969013   -1.4789065   -0.3281759  0.00    0.0002981    0.0095498   -0.0016469
 C    9.1925658   -2.4469475    0.2255788  0.00    0.0040500   -0.0036493   -0.0106966
 C   10.2656810   -1.8284906    1.1000100  0.00    0.0013515    0.0011555    0.0011328
 C   10.7627857   -0.5563685    0.4417449  0.00    0.0043997    0.0019344    0.0018445
 C    9.6640389    0.5092731    0.3041430  0.00   -0.0042526    0.0019217   -0.0000667
 C   10.1783255    1.5875964   -0.6632875  0.00    0.0026271    0.0040021   -0.0041010
 H    9.5515034    2.4899498   -0.6708351  0.00   -0.0054110   -0.0016293   -0.0002340
 H   10.2419753    1.2070592   -1.6942820  0.00    0.0017104   -0.0022921   -0.0034646
 H   11.1892757    1.8978497   -0.3573343  0.00    0.0029010   -0.0008540    0.0021393
 C    9.3876355    1.1688520    1.6681304  0.00    0.0014234    0.0015527    0.0011953
 H    8.6086418    1.9407502    1.5838239  0.00   -0.0014157    0.0003192    0.0006783
 H   10.3035075    1.6494472    2.0474163  0.00   -0.0014387   -0.0007818   -0.0002611
 H    9.0510046    0.4380604    2.4175696  0.00    0.0007231   -0.0024209    0.0053735
 H   11.1511479   -0.8034892   -0.5628656  0.00    0.0013788   -0.0038361    0.0003724
 H   11.6074486   -0.1198460    0.9985161  0.00   -0.0020546   -0.0008750    0.0054985
 H    9.8624437   -1.6083906    2.1021475  0.00   -0.0021158    0.0012167    0.0025199
 H   11.0889456   -2.5440240    1.2490182  0.00   -0.0013490    0.0039794    0.0006124
 H    8.6421596   -3.2452717    0.7585305  0.00    0.0001262   -0.0022817    0.0019619
 H    9.6556334   -2.9762819   -0.6329045  0.00   -0.0007096    0.0001852   -0.0020510
 C    7.0657225   -2.1210038   -1.0604107  0.00    0.0008614   -0.0069156   -0.0009274
 H    6.5567827   -1.4397129   -1.7531423  0.00   -0.0013466    0.0011020    0.0004864
 H    6.3135837   -2.5283290   -0.3580704  0.00   -0.0011237   -0.0001995   -0.0044944
 H    7.4424387   -2.9895712   -1.6264828  0.00   -0.0030749   -0.0045479   -0.0018523
 C    8.3550845   -0.1037030   -0.2123915  0.00   -0.0022505   -0.0053437   -0.0009275
 C    7.3125387    0.8374731   -0.5647496  0.00    0.0009088   -0.0027927    0.0049049
 H    7.6417931    1.8153387   -0.9253258  0.00    0.0029817    0.0007788   -0.0013319
 C    5.9651059    0.6623251   -0.3813065  0.00    0.0044297    0.0053043    0.0048073
 H    5.6134410   -0.2578953    0.0958137  0.00    0.0007045    0.0025241    0.0041186
 C    4.9398113    1.6204208   -0.7244825  0.00    0.0002853    0.0007021   -0.0042312
 C    5.3399005    2.8803486   -1.4256384  0.00   -0.0046325    0.0070157    0.0075635
 H    4.4775153    3.4756048   -1.7479728  0.00   -0.0087014   -0.0014551   -0.0017165
 H    5.9407796    2.6558063   -2.3216905  0.00   -0.0011993   -0.0001712   -0.0011657
 H    5.9626364    3.5176195   -0.7744376  0.00   -0.0000918    0.0006789   -0.0018369
 C    3.6409031    1.3024454   -0.3943306  0.00    0.0033424   -0.0017860   -0.0127428
 H    3.4810481    0.3404710    0.1090989  0.00    0.0015084    0.0020354   -0.0039848
 C    2.4578254    2.0778796   -0.6347408  0.00   -0.0024577   -0.0032340    0.0013330
 H    2.5668732    3.0578251   -1.1047267  0.00    0.0010287    0.0020828   -0.0056329
 C    1.2049787    1.6247554   -0.3089159  0.00    0.0028776    0.0016495   -0.0006244
 H    1.1178184    0.6311884    0.1474980  0.00    0.0001693    0.0009874   -0.0007625
 C   -0.0320160    2.3310438   -0.5190397  0.00   -0.0018505   -0.0050396   -0.0010336
 C    0.0180851    3.6930382   -1.1351395  0.00    0.0005084   -0.0000668   -0.0039617
 H   -0.9701505    4.1572776   -1.2374642  0.00    0.0015615   -0.0014614    0.0000655
 H    0.4694791    3.6497350   -2.1407405  0.00    0.0016763   -0.0001994    0.0023727
 H    0.6470746    4.3743686   -0.5379490  0.00    0.0019064   -0.0030507   -0.0005678
 C   -1.2078012    1.6936349   -0.1453484  0.00   -0.0014403    0.0054044    0.0056559
 H   -1.1428038    0.6870967    0.2819908  0.00    0.0012805   -0.0004428   -0.0005865
 C   -2.5104091    2.2202852   -0.2639408  0.00   -0.0012782   -0.0077829   -0.0035379
 H   -2.6739017    3.2281159   -0.6611312  0.00   -0.0007281   -0.0002230    0.0002608
 N   -3.5947426    1.5521724    0.0776161  0.00   -0.0044739   -0.0023416    0.0014017
 H   -3.4613818    0.5770783    0.4383939  0.00    0.0004437    0.0000099   -0.0001313
 C   -4.9346869    2.0837726    0.0162266  0.00    0.0036922   -0.0045409   -0.0008504
 H   -4.9330405    2.9743926   -0.6337314  0.00    0.0012531   -0.0009315    0.0064290
 H   -5.5791457    1.3290772   -0.4609034  0.00    0.0005700   -0.0048067   -0.0052028
 C   -5.4916221    2.4342829    1.3958346  0.00    0.0017103   -0.0049237   -0.0015561
 H   -5.4820050    1.5259308    2.0231604  0.00    0.0022410   -0.0017133    0.0009539
 H   -4.8121029    3.1532801    1.8871261  0.00    0.0022773    0.0032916   -0.0037188
 C   -6.9030455    3.0061453    1.3362830  0.00    0.0026695   -0.0030127   -0.0019784
 H   -6.9035259    3.9096609    0.7013579  0.00    0.0008695    0.0006119   -0.0026959
 H   -7.5655914    2.2851918    0.8286625  0.00    0.0032505   -0.0011149    0.0025511
 C   -7.4654293    3.3453379    2.7077968  0.00   -0.0020849   -0.0011104   -0.0013629
 H   -8.4855458    3.7501664    2.6346136  0.00   -0.0038351   -0.0015463   -0.0003113
 H   -7.5106062    2.4538506    3.3538167  0.00   -0.0001754    0.0030705    0.0008956
 H   -6.8456558    4.0959557    3.2244034  0.00    0.0028012   -0.0016139    0.0017805
 O   -5.6793400   -1.2807374   -0.8457331  0.00    0.0000066   -0.0004388    0.0014922
 H   -4.8697288   -1.8663901   -0.4965216  0.00    0.0010934   -0.0030035    0.0068038
 C   -6.8307138   -1.7687562   -0.4968906  0.00   -0.0034572   -0.0113628   -0.0045673
 O   -7.0683549   -2.7409219    0.1697952  0.00    0.0001190    0.0066616   -0.0009541
 C   -7.9829139   -0.9375923   -1.1050532  0.00   -0.0046163    0.0022444    0.0000816
 F   -7.7958017    0.3769827   -0.9264463  0.00    0.0008960   -0.0017038   -0.0001239
 F   -8.0705870   -1.1556401   -2.4167234  0.00    0.0019545   -0.0012581    0.0064287
 F   -9.1462778   -1.2565647   -0.5524515  0.00    0.0018815   -0.0029632   -0.0037596
 O   -2.8087695   -0.8757258    0.9855449  0.00   -0.0017766    0.0025989   -0.0017172
 C   -2.8674420   -2.0490986    0.5955805  0.00   -0.0024194   -0.0107578   -0.0003586
 O   -3.7338881   -2.6309774   -0.0866074  0.00   -0.0037551    0.0001712   -0.0026730
 C   -1.6590177   -2.9182065    1.0226007  0.00   -0.0000587   -0.0048608   -0.0004677
 F   -1.5372582   -2.9499840    2.3517969  0.00   -0.0009384   -0.0021238    0.0027902
 F   -1.7480037   -4.1794104    0.5974843  0.00   -0.0018651    0.0018285    0.0001336
 F   -0.5215500   -2.4102590    0.5285072  0.00   -0.0025125    0.0004976    0.0030339
78
 Energy =   -2041.3868450756
 C    8.1958041   -1.4779244   -0.3295108  0.00   -0.0018709    0.0050520   -0.0045634
 C    9.1902238   -2.4469009    0.2248701  0.00    0.0044609   -0.0065052   -0.0087101
 C   10.2623981   -1.8290736    1.1008518  0.00    0.0027709    0.0021534    0.0042714
 C   10.7615205   -0.5575438    0.4429755  0.00    0.0026098    0.0027036    0.0002801
 C    9.6636261    0.5090602    0.3042038  0.00    0.0001491    0.0007322    0.0022531
 C   10.1797993    1.5872541   -0.6623048  0.00    0.0058584   -0.0031629   -0.0082726
 H    9.5529455    2.4893170   -0.6709071  0.00   -0.0063087    0.0015179   -0.0014971
 H   10.2458746    1.2060283   -1.6933208  0.00    0.0007477    0.0012620    0.0022686
 H   11.1902188    1.8969718   -0.3538941  0.00    0.0019368    0.0001851    0.0008414
 C    9.3866991    1.1687652    1.6681866  0.00    0.0052057    0.0033713   -0.0018537
 H    8.6088148    1.9414583    1.5831353  0.00   -0.0049053    0.0011498    0.0005216
 H   10.3026408    1.6495753    2.0473657  0.00   -0.0025008   -0.0038819    0.0007993
 H    9.0489572    0.4382778    2.4173432  0.00    0.0014155   -0.0021048    0.0063505
 H   11.1514424   -0.8053887   -0.5610738  0.00   -0.0011134   -0.0025342    0.0025607
 H   11.6058120   -0.1218339    1.0007762  0.00   -0.0012309    0.0000834    0.0064659
 H    9.8580736   -1.6087202    2.1027885  0.00   -0.0008985    0.0008281   -0.0017568
 H   11.0854752   -2.5445146    1.2509367  0.00   -0.0019978    0.0017100    0.0009166
 H    8.6390884   -3.2456647    0.7568978  0.00    0.0009722    0.0011107    0.0000030
 H    9.6545400   -2.9761346   -0.6331233  0.00   -0.0020411    0.0013570   -0.0016294
 C    7.0648478   -2.1191167   -1.0633172  0.00    0.0018846   -0.0030001   -0.0008395
 H    6.5564129   -1.4367881   -1.7554312  0.00   -0.0014967    0.0011119    0.0011295
 H    6.3123424   -2.5274005   -0.3620379  0.00   -0.0015945   -0.0005966   -0.0039308
 H    7.4415577   -2.9866339   -1.6308413  0.00   -0.0015094   -0.0060673   -0.0014286
 C    8.3548958   -0.1028645   -0.2133964  0.00   -0.0007446   -0.0078157    0.0009957
 C    7.3132305    0.8389051   -0.5657673  0.00    0.0036020   -0.0004957    0.0024172
 H    7.6434354    1.8165653   -0.9261717  0.00    0.0011252    0.0005826   -0.0019151
 C    5.9659914    0.6639196   -0.3824818  0.00    0.0008233    0.0058118    0.0064148
 H    5.6146301   -0.2560664    0.0955592  0.00    0.0005546    0.0039684    0.0027023
 C    4.9405401    1.6216027   -0.7263544  0.00    0.0003382    0.0026763   -0.0049973
 C    5.3395090    2.8809666   -1.4295523  0.00   -0.0066307    0.0014918    0.0068046
 H    4.4762307    3.4749369   -1.7518576  0.00   -0.0080846   -0.0002050   -0.0007798
 H    5.9390149    2.6553308   -2.3261727  0.00    0.0002541   -0.0004969   -0.0016794
 H    5.9628878    3.5191488   -0.7801478  0.00    0.0005605    0.0024253   -0.0004615
 C    3.6420365    1.3035105   -0.3952371  0.00    0.0010473    0.0019373   -0.0138694
 H    3.4829272    0.3426459    0.1098786  0.00    0.0008631   -0.0027823   -0.0022180
 C    2.4582437    2.0777768   -0.6362852  0.00   -0.0025925   -0.0005896   -0.0005547
 H    2.5662294    3.0571377   -1.1079391  0.00    0.0015344    0.0010024   -0.0044134
 C    1.2058027    1.6242277   -0.3098145  0.00   -0.0006044    0.0031145   -0.0014575
 H    1.1191912    0.6310859    0.1473333  0.00    0.0005588   -0.0007993    0.0006510
 C   -0.0320104    2.3293900   -0.5204816  0.00   -0.0005785   -0.0032919   -0.0018189
 C    0.0174243    3.6912621   -1.1373419  0.00   -0.0005821   -0.0020075    0.0033425
 H   -0.9708150    4.1555431   -1.2389466  0.00    0.0003206   -0.0018101   -0.0005416
 H    0.4683867    3.6478693   -2.1428240  0.00    0.0033104   -0.0002280   -0.0014947
 H    0.6464926    4.3725005   -0.5400425  0.00    0.0018991   -0.0028916   -0.0019299
 C   -1.2072467    1.6912838   -0.1461398  0.00   -0.0032058    0.0043810    0.0045931
 H   -1.1403468    0.6852220    0.2823155  0.00   -0.0014174    0.0008986   -0.0016122
 C   -2.5107839    2.2161558   -0.2656714  0.00    0.0003594   -0.0088943   -0.0010283
 H   -2.6754170    3.2237331   -0.6634403  0.00    0.0004204   -0.0023840    0.0007661
 N   -3.5947678    1.5473150    0.0762146  0.00    0.0050506   -0.0006574    0.0001156
 H   -3.4610687    0.5723362    0.4371919  0.00    0.0011052    0.0001646    0.0003738
 C   -4.9344217    2.0787003    0.0151582  0.00   -0.0041936   -0.0070553   -0.0043572
 H   -4.9332310    2.9687311   -0.6354626  0.00    0.0012138    0.0000222    0.0050065
 H   -5.5791659    1.3233035   -0.4611481  0.00    0.0025299   -0.0011837   -0.0027560
 C   -5.4906861    2.4307357    1.3946019  0.00    0.0012549   -0.0026581   -0.0010479
 H   -5.4807843    1.5228357    2.0225191  0.00    0.0014711   -0.0011996    0.0023801
 H   -4.8107164    3.1503803    1.8846859  0.00    0.0010011    0.0007786   -0.0042045
 C   -6.9019848    3.0033972    1.3350748  0.00    0.0050737   -0.0021916   -0.0005686
 H   -6.9018190    3.9063815    0.6992653  0.00    0.0007147    0.0003043   -0.0012041
 H   -7.5651522    2.2828441    0.8278792  0.00    0.0024212   -0.0028335    0.0030085
 C   -7.4636089    3.3442219    2.7066945  0.00   -0.0007097    0.0015407   -0.0044815
 H   -8.4828664    3.7511030    2.6336005  0.00   -0.0053738   -0.0033016   -0.0006962
 H   -7.5095740    2.4536860    3.3537998  0.00   -0.0010425    0.0013906    0.0006555
 H   -6.8428726    4.0945759    3.2223531  0.00    0.0047836   -0.0009805    0.0022127
 O   -5.6804881   -1.2853559   -0.8423113  0.00   -0.0050045    0.0018391   -0.0014258
 H   -4.8717199   -1.8718323   -0.4923124  0.00    0.0015254   -0.0021598    0.0076407
 C   -6.8327608   -1.7728372   -0.4954168  0.00    0.0035767   -0.0054799   -0.0061932
 O   -7.0713571   -2.7446270    0.1711701  0.00   -0.0035296    0.0001895    0.0027704
 C   -7.9837776   -0.9416416   -1.1055595  0.00    0.0005618    0.0024154   -0.0006690
 F   -7.7970443    0.3730383   -0.9267872  0.00   -0.0002123   -0.0030553    0.0008905
 F   -8.0686543   -1.1596934   -2.4173538  0.00    0.0003261   -0.0015840    0.0046299
 F   -9.1478071   -1.2610844   -0.5551034  0.00   -0.0018928   -0.0017841   -0.0031413
 O   -2.8082728   -0.8796467    0.9851341  0.00   -0.0029930    0.0050548    0.0001782
 C   -2.8697246   -2.0539320    0.5986964  0.00    0.0024705   -0.0106047   -0.0014269
 O   -3.7376689   -2.6360730   -0.0812081  0.00   -0.0046077   -0.0036448   -0.0037021
 C   -1.6623569   -2.9239423    1.0265931  0.00    0.0005619   -0.0071814    0.0024546
 F   -1.5385103   -2.9516319    2.3557181  0.00   -0.0024210   -0.0027627    0.0036563
 F   -1.7543171   -4.1862556    0.6056044  0.00   -0.0037791   -0.0013299   -0.0002180
 F   -0.5245945   -2.4204178    0.5294118  0.00    0.0002854    0.0055533    0.0009503
78
 Energy =   -2041.3868767209
 C    8.1948104   -1.4770652   -0.3312215  0.00    0.0007651   -0.0078648   -0.0018489
 C    9.1885328   -2.4472061    0.2241176  0.00   -0.0009640    0.0026909   -0.0021279
 C   10.2594297   -1.8292531    1.1021107  0.00   -0.0001457    0.0006916    0.0031643
 C   10.7606219   -0.5585218    0.4443514  0.00   -0.0021412    0.0016252   -0.0009804
 C    9.6634040    0.5088209    0.3044162  0.00    0.0060409    0.0000518    0.0004391
 C   10.1815769    1.5868556   -0.6614484  0.00    0.0038371   -0.0050536   -0.0073708
 H    9.5542869    2.4886583   -0.6716499  0.00   -0.0045968    0.0014698   -0.0015030
 H   10.2502034    1.2053921   -1.6922711  0.00    0.0006214    0.0013519    0.0032839
 H   11.1912254    1.8964023   -0.3503028  0.00    0.0013281    0.0012132   -0.0004050
 C    9.3862118    1.1688325    1.6680892  0.00    0.0011004   -0.0003431    0.0018032
 H    8.6089861    1.9420813    1.5827996  0.00   -0.0072249    0.0003347    0.0002243
 H   10.3017411    1.6498926    2.0472705  0.00    0.0017014   -0.0038374    0.0020500
 H    9.0482847    0.4383182    2.4176566  0.00    0.0024058    0.0025000    0.0022734
 H   11.1511897   -0.8077063   -0.5592734  0.00   -0.0017003   -0.0004106    0.0045402
 H   11.6046413   -0.1236520    1.0029719  0.00    0.0002083    0.0014712    0.0068011
 H    9.8534644   -1.6086738    2.1035661  0.00   -0.0000341    0.0009172   -0.0055066
 H   11.0820864   -2.5444984    1.2537431  0.00   -0.0000685   -0.0021289    0.0016034
 H    8.6368551   -3.2460688    0.7556058  0.00    0.0000436    0.0030499   -0.0012951
 H    9.6537239   -2.9762746   -0.6329776  0.00    0.0008374   -0.0004309   -0.0062884
 C    7.0640265   -2.1175890   -1.0662737  0.00   -0.0000153    0.0021897   -0.0024348
 H    6.5557975   -1.4343677   -1.7578905  0.00   -0.0001409    0.0004081    0.0026789
 H    6.3107374   -2.5269105   -0.3663976  0.00    0.0000682   -0.0000838   -0.0028484
 H    7.4405746   -2.9841350   -1.6351787  0.00    0.0006501   -0.0076903   -0.0013277
 C    8.3548172   -0.1023519   -0.2142643  0.00    0.0018160   -0.0034747    0.0024649
 C    7.3142011    0.8403833   -0.5664537  0.00    0.0037394    0.0032996   -0.0019809
 H    7.6451598    1.8178475   -0.9274421  0.00   -0.0005331   -0.0026683   -0.0005035
 C    5.9670399    0.6658127   -0.3833267  0.00   -0.0028115    0.0056205    0.0062446
 H    5.6157817   -0.2540120    0.0955364  0.00    0.0009173    0.0067356    0.0011040
 C    4.9413569    1.6229707   -0.7284327  0.00   -0.0001507    0.0037247   -0.0022342
 C    5.3387041    2.8820061   -1.4331985  0.00   -0.0034384   -0.0034833    0.0015154
 H    4.4744241    3.4742307   -1.7559360  0.00   -0.0078806    0.0011630    0.0004769
 H    5.9372658    2.6555081   -2.3304256  0.00    0.0001257    0.0002246    0.0004576
 H    5.9624067    3.5215698   -0.7855787  0.00    0.0001550    0.0028820    0.0003885
 C    3.6432533    1.3047298   -0.3963203  0.00   -0.0033697    0.0013344   -0.0126146
 H    3.4851940    0.3446580    0.1106383  0.00    0.0000447   -0.0029770   -0.0027809
 C    2.4585263    2.0777737   -0.6379443  0.00    0.0012056    0.0031700   -0.0037109
 H    2.5656002    3.0566055   -1.1114432  0.00    0.0013327   -0.0022899   -0.0020971
 C    1.2065294    1.6238548   -0.3107852  0.00   -0.0041696    0.0009245   -0.0000972
 H    1.1204220    0.6311503    0.1474254  0.00    0.0013982   -0.0008298    0.0009326
 C   -0.0320280    2.3277765   -0.5219780  0.00   -0.0001377   -0.0003587   -0.0020498
 C    0.0166048    3.6895089   -1.1393697  0.00   -0.0001607   -0.0045583    0.0054909
 H   -0.9718282    4.1533494   -1.2401298  0.00   -0.0007621   -0.0008220   -0.0015725
 H    0.4674389    3.6464104   -2.1448441  0.00    0.0027406   -0.0006061   -0.0027709
 H    0.6457979    4.3705926   -0.5421576  0.00    0.0021575   -0.0013562   -0.0014839
 C   -1.2068285    1.6893400   -0.1467962  0.00   -0.0023639   -0.0012272    0.0027583
 H   -1.1386065    0.6838282    0.2827702  0.00   -0.0020552    0.0004810   -0.0016904
 C   -2.5111747    2.2118359   -0.2678051  0.00    0.0015097   -0.0041176    0.0027956
 H   -2.6767619    3.2190835   -0.6658958  0.00    0.0003015   -0.0018090   -0.0007370
 N   -3.5946633    1.5426273    0.0748922  0.00    0.0066793    0.0002728   -0.0024456
 H   -3.4605363    0.5678158    0.4359849  0.00    0.0006164   -0.0006806    0.0013307
 C   -4.9345342    2.0736249    0.0138528  0.00   -0.0013697   -0.0078680   -0.0023930
 H   -4.9338031    2.9631881   -0.6371813  0.00    0.0012936    0.0009772    0.0026770
 H   -5.5789870    1.3174731   -0.4614246  0.00    0.0007104   -0.0013818   -0.0029029
 C   -5.4897771    2.4271295    1.3933017  0.00    0.0018988    0.0005637   -0.0010125
 H   -5.4795433    1.5197799    2.0218932  0.00    0.0006083   -0.0013197    0.0037212
 H   -4.8091471    3.1473886    1.8821306  0.00   -0.0013535   -0.0023422   -0.0055849
 C   -6.9008733    3.0005436    1.3337466  0.00    0.0060731   -0.0001702    0.0012661
 H   -6.9001384    3.9032390    0.6971820  0.00    0.0004093   -0.0023861    0.0006342
 H   -7.5646537    2.2801166    0.8272893  0.00    0.0019506   -0.0033856    0.0027883
 C   -7.4618597    3.3430767    2.7053274  0.00    0.0019416    0.0047191   -0.0022827
 H   -8.4804006    3.7515447    2.6323981  0.00   -0.0069508   -0.0031138   -0.0017857
 H   -7.5090956    2.4537608    3.3539748  0.00   -0.0005918   -0.0005786   -0.0011649
 H   -6.8400507    4.0931160    3.2204763  0.00    0.0041493   -0.0020504    0.0002128
 O   -5.6813365   -1.2896713   -0.8390011  0.00   -0.0042550   -0.0016645   -0.0006947
 H   -4.8729808   -1.8773591   -0.4878808  0.00   -0.0017474    0.0010659    0.0063828
 C   -6.8343819   -1.7767681   -0.4940954  0.00    0.0049513    0.0028880   -0.0078214
 O   -7.0746913   -2.7480268    0.1723817  0.00   -0.0030318   -0.0071937    0.0065280
 C   -7.9843471   -0.9453956   -1.1059003  0.00    0.0035157   -0.0026879    0.0018504
 F   -7.7981504    0.3691268   -0.9263557  0.00   -0.0012493   -0.0007717    0.0009548
 F   -8.0667786   -1.1633619   -2.4176547  0.00   -0.0003239   -0.0005560   -0.0011079
 F   -9.1491305   -1.2657574   -0.5576718  0.00   -0.0040094    0.0004257   -0.0021866
 O   -2.8087584   -0.8837185    0.9845297  0.00   -0.0003239   -0.0028595   -0.0006466
 C   -2.8718998   -2.0592145    0.6016094  0.00   -0.0012000   -0.0035922   -0.0010963
 O   -3.7416039   -2.6418426   -0.0758911  0.00   -0.0001686   -0.0050302   -0.0020974
 C   -1.6655549   -2.9301283    1.0307729  0.00   -0.0037126   -0.0005593    0.0028090
 F   -1.5408325   -2.9545216    2.3598849  0.00   -0.0007406   -0.0020347    0.0032076
 F   -1.7606939   -4.1931413    0.6133487  0.00   -0.0012692   -0.0053150   -0.0023166
 F   -0.5275454   -2.4296257    0.5310694  0.00   -0.0007567    0.0031821    0.0028061
78
 Energy =   -2041.3869032209
 C    8.1937068   -1.4766030   -0.3330441  0.00    0.0038189   -0.0058379    0.0017635
 C    9.1865751   -2.4472243    0.2233615  0.00   -0.0021962    0.0037978   -0.0001943
 C   10.2561254   -1.8295219    1.1034839  0.00    0.0005520   -0.0017242   -0.0018477
 C   10.7594481   -0.5595415    0.4458658  0.00   -0.0020263   -0.0001432    0.0020820
 C    9.6634271    0.5085637    0.3045704  0.00    0.0058270    0.0007465    0.0002649
 C   10.1836086    1.5863102   -0.6608651  0.00   -0.0023349    0.0023775   -0.0001143
 H    9.5555550    2.4880397   -0.6735484  0.00   -0.0005336   -0.0036089    0.0001662
 H   10.2550743    1.2050522   -1.6911370  0.00    0.0013738   -0.0029459   -0.0021388
 H   11.1921496    1.8966827   -0.3468962  0.00    0.0009629    0.0009528   -0.0011249
 C    9.3856748    1.1688078    1.6681281  0.00   -0.0020174   -0.0010426    0.0035665
 H    8.6089817    1.9427828    1.5827409  0.00   -0.0066698   -0.0027889    0.0004399
 H   10.3008594    1.6493660    2.0480920  0.00    0.0061392   -0.0015534    0.0011745
 H    9.0482110    0.4384157    2.4182817  0.00    0.0001378    0.0041621   -0.0014364
 H   11.1503708   -0.8100433   -0.5571242  0.00    0.0001227    0.0004846    0.0025835
 H   11.6033401   -0.1254555    1.0053216  0.00    0.0002680    0.0014674    0.0058998
 H    9.8486110   -1.6085101    2.1040187  0.00   -0.0017286    0.0016592   -0.0035458
 H   11.0780710   -2.5451571    1.2569038  0.00    0.0001632   -0.0027973    0.0013319
 H    8.6342912   -3.2463351    0.7537553  0.00   -0.0011962    0.0030972   -0.0009276
 H    9.6528518   -2.9761713   -0.6331242  0.00    0.0021736   -0.0003237   -0.0071090
 C    7.0631636   -2.1158912   -1.0694633  0.00   -0.0002490    0.0005406   -0.0025766
 H    6.5552220   -1.4314381   -1.7599973  0.00    0.0001085    0.0005436    0.0014373
 H    6.3092207   -2.5265068   -0.3709648  0.00    0.0015370    0.0005685   -0.0021039
 H    7.4398504   -2.9817002   -1.6396057  0.00    0.0005105   -0.0062040   -0.0010144
 C    8.3548340   -0.1019762   -0.2151507  0.00    0.0015371   -0.0001865    0.0016345
 C    7.3151849    0.8418683   -0.5673520  0.00   -0.0003707    0.0019970   -0.0021930
 H    7.6464682    1.8190588   -0.9286662  0.00    0.0005753   -0.0022184   -0.0009791
 C    5.9679496    0.6680222   -0.3838999  0.00    0.0001639    0.0050749    0.0029985
 H    5.6170578   -0.2517785    0.0955207  0.00   -0.0001242    0.0090118    0.0005816
 C    4.9421371    1.6246180   -0.7305712  0.00   -0.0028810    0.0004837    0.0033546
 C    5.3375687    2.8829751   -1.4369852  0.00    0.0025451   -0.0002269   -0.0028679
 H    4.4722256    3.4738284   -1.7599642  0.00   -0.0047576    0.0001070    0.0018472
 H    5.9356267    2.6557152   -2.3345052  0.00   -0.0010508    0.0006501    0.0011026
 H    5.9619941    3.5241761   -0.7913682  0.00   -0.0028721    0.0011464   -0.0000667
 C    3.6444375    1.3060037   -0.3975919  0.00   -0.0077836   -0.0033806   -0.0093584
 H    3.4875745    0.3463946    0.1113428  0.00   -0.0004760    0.0020721   -0.0058143
 C    2.4588881    2.0778095   -0.6400800  0.00    0.0010194    0.0012974   -0.0028223
 H    2.5652861    3.0558426   -1.1153390  0.00    0.0007655   -0.0019438   -0.0017168
 C    1.2072504    1.6235084   -0.3118054  0.00   -0.0036919   -0.0022580   -0.0001000
 H    1.1221153    0.6310592    0.1474814  0.00    0.0015171    0.0014584    0.0005246
 C   -0.0320637    2.3260350   -0.5236024  0.00   -0.0011094   -0.0015524    0.0012137
 C    0.0157619    3.6873661   -1.1412318  0.00    0.0022365   -0.0013221   -0.0021607
 H   -0.9726508    4.1512691   -1.2418386  0.00   -0.0014778   -0.0013159   -0.0010478
 H    0.4664469    3.6445098   -2.1471440  0.00    0.0006284   -0.0008196    0.0018099
 H    0.6451835    4.3684745   -0.5443492  0.00    0.0022132   -0.0005706   -0.0012438
 C   -1.2064722    1.6872811   -0.1474597  0.00    0.0005701   -0.0049657    0.0008793
 H   -1.1374376    0.6825403    0.2833477  0.00   -0.0006696   -0.0030500   -0.0008240
 C   -2.5114989    2.2073011   -0.2697946  0.00    0.0057942    0.0060317    0.0016252
 H   -2.6780963    3.2140655   -0.6687044  0.00    0.0002217   -0.0014693   -0.0014776
 N   -3.5942356    1.5376498    0.0733036  0.00   -0.0018797   -0.0031739   -0.0006534
 H   -3.4597253    0.5630633    0.4350269  0.00    0.0002529    0.0000504    0.0008528
 C   -4.9345967    2.0682318    0.0124416  0.00    0.0051400   -0.0051797   -0.0009679
 H   -4.9341754    2.9575509   -0.6389887  0.00    0.0011128   -0.0005162    0.0014884
 H   -5.5788655    1.3114449   -0.4618083  0.00   -0.0009347   -0.0018189   -0.0028815
 C   -5.4886236    2.4234812    1.3919706  0.00    0.0014477   -0.0028289   -0.0023048
 H   -5.4781957    1.5165389    2.0212184  0.00    0.0002558    0.0001587    0.0046520
 H   -4.8078350    3.1443743    1.8794667  0.00    0.0006623   -0.0029792   -0.0051821
 C   -6.8992573    2.9975577    1.3324967  0.00    0.0026127   -0.0004026   -0.0004777
 H   -6.8981075    3.8997611    0.6950790  0.00    0.0002109   -0.0036705    0.0012140
 H   -7.5639284    2.2771673    0.8271182  0.00    0.0026529   -0.0032597    0.0020132
 C   -7.4598650    3.3418982    2.7036321  0.00   -0.0001380    0.0064027    0.0009548
 H   -8.4778935    3.7518228    2.6301267  0.00   -0.0052606   -0.0031957   -0.0018604
 H   -7.5089979    2.4535052    3.3535429  0.00    0.0007093   -0.0002992   -0.0028597
 H   -6.8370125    4.0915910    3.2181068  0.00    0.0035336   -0.0023045    0.0004145
 O   -5.6824537   -1.2942209   -0.8358710  0.00    0.0039683   -0.0028721    0.0003449
 H   -4.8747135   -1.8828962   -0.4832169  0.00   -0.0029776    0.0025923    0.0043657
 C   -6.8358784   -1.7806913   -0.4927017  0.00   -0.0076860   -0.0053177   -0.0011419
 O   -7.0782565   -2.7517802    0.1737139  0.00    0.0023812   -0.0011009    0.0022165
 C   -7.9849911   -0.9494446   -1.1061288  0.00   -0.0012589   -0.0041190    0.0014701
 F   -7.7998860    0.3650670   -0.9255677  0.00   -0.0004137   -0.0003624    0.0001224
 F   -8.0651036   -1.1671157   -2.4180938  0.00    0.0008293    0.0008965   -0.0017373
 F   -9.1509315   -1.2705705   -0.5604090  0.00   -0.0007585    0.0011982   -0.0022242
 O   -2.8090969   -0.8882095    0.9837643  0.00    0.0006102   -0.0080610   -0.0015248
 C   -2.8741710   -2.0648788    0.6045645  0.00   -0.0055677   -0.0036585   -0.0008727
 O   -3.7455270   -2.6484412   -0.0703773  0.00    0.0028807   -0.0013158    0.0004099
 C   -1.6689722   -2.9366732    1.0352793  0.00   -0.0048503    0.0031791    0.0014774
 F   -1.5432353   -2.9580101    2.3644019  0.00    0.0001612   -0.0013877    0.0004283
 F   -1.7668455   -4.2006461    0.6211358  0.00    0.0020698   -0.0023369   -0.0022870
 F   -0.5309098   -2.4384285    0.5330512  0.00   -0.0029780   -0.0022197    0.0058016
78
 Energy =   -2041.3869336808
 C    8.1927722   -1.4762230   -0.3345654  0.00    0.0035601    0.0047271    0.0014731
 C    9.1846267   -2.4470247    0.2224770  0.00    0.0007398    0.0006450   -0.0017923
 C   10.2529263   -1.8300278    1.1045631  0.00    0.0019138   -0.0030624   -0.0024325
 C   10.7580875   -0.5606227    0.4473819  0.00    0.0029140   -0.0004778    0.0042549
 C    9.6635227    0.5084070    0.3047802  0.00    0.0019399    0.0010895    0.0011107
 C   10.1854496    1.5858342   -0.6603830  0.00   -0.0021554    0.0031437    0.0040162
 H    9.5568359    2.4872926   -0.6754363  0.00    0.0008610   -0.0054646    0.0007510
 H   10.2599163    1.2038793   -1.6901130  0.00    0.0010874   -0.0037268   -0.0029060
 H   11.1931009    1.8970270   -0.3438468  0.00   -0.0012520    0.0002290   -0.0022227
 C    9.3851882    1.1687751    1.6684065  0.00   -0.0003295    0.0001786    0.0028705
 H    8.6089910    1.9433333    1.5830625  0.00   -0.0060495   -0.0038688    0.0000965
 H   10.3005114    1.6484784    2.0491676  0.00    0.0063127   -0.0004751   -0.0003796
 H    9.0477145    0.4386543    2.4187709  0.00   -0.0019408    0.0030264   -0.0026217
 H   11.1499558   -0.8121316   -0.5548512  0.00    0.0008811    0.0013677    0.0004465
 H   11.6017724   -0.1272131    1.0077584  0.00    0.0002368    0.0009713    0.0053767
 H    9.8437500   -1.6083257    2.1041871  0.00   -0.0024070    0.0011522   -0.0025066
 H   11.0742001   -2.5462794    1.2597751  0.00   -0.0017185   -0.0010596    0.0005852
 H    8.6315468   -3.2462446    0.7514377  0.00   -0.0023582    0.0001827    0.0005029
 H    9.6521282   -2.9753960   -0.6339019  0.00    0.0015217    0.0001708   -0.0049620
 C    7.0624982   -2.1141965   -1.0725396  0.00    0.0019680   -0.0019244   -0.0014867
 H    6.5547933   -1.4284010   -1.7617129  0.00   -0.0003007    0.0010702   -0.0006765
 H    6.3083187   -2.5260442   -0.3751000  0.00    0.0011520    0.0003251   -0.0012029
 H    7.4393651   -2.9792926   -1.6439644  0.00   -0.0001507   -0.0038102   -0.0003314
 C    8.3548531   -0.1014734   -0.2159036  0.00   -0.0000189   -0.0005073   -0.0001755
 C    7.3160171    0.8433192   -0.5685478  0.00   -0.0017106   -0.0013336    0.0005425
 H    7.6479290    1.8200786   -0.9299580  0.00    0.0013334    0.0002779   -0.0026779
 C    5.9687898    0.6702787   -0.3844059  0.00    0.0023719    0.0031914   -0.0003190
 H    5.6183534   -0.2495943    0.0953662  0.00   -0.0011938    0.0106107    0.0007897
 C    4.9427085    1.6261710   -0.7323801  0.00   -0.0035883   -0.0020152    0.0059479
 C    5.3366562    2.8837196   -1.4407397  0.00    0.0024152    0.0027481   -0.0023228
 H    4.4701424    3.4734462   -1.7632863  0.00   -0.0009263   -0.0007042    0.0023199
 H    5.9337976    2.6557380   -2.3385476  0.00   -0.0005963   -0.0000946   -0.0011160
 H    5.9618713    3.5262132   -0.7970401  0.00   -0.0045782    0.0004816    0.0001367
 C    3.6453269    1.3070079   -0.3988888  0.00   -0.0085465   -0.0040303   -0.0073251
 H    3.4894326    0.3481129    0.1118770  0.00   -0.0009805    0.0033406   -0.0069948
 C    2.4593125    2.0777924   -0.6422670  0.00   -0.0029724   -0.0026118   -0.0009784
 H    2.5653235    3.0548718   -1.1192286  0.00   -0.0000949    0.0006086   -0.0022716
 C    1.2079511    1.6230955   -0.3128128  0.00   -0.0015504   -0.0020634   -0.0022609
 H    1.1240818    0.6309579    0.1473183  0.00    0.0008285    0.0014736    0.0013821
 C   -0.0321305    2.3242184   -0.5251302  0.00   -0.0006506   -0.0031856    0.0043132
 C    0.0150649    3.6852012   -1.1431067  0.00    0.0024167    0.0013844   -0.0048421
 H   -0.9733251    4.1492577   -1.2437280  0.00   -0.0012958   -0.0020137   -0.0002139
 H    0.4654924    3.6421814   -2.1492018  0.00    0.0004581   -0.0006508    0.0027026
 H    0.6448430    4.3662391   -0.5464271  0.00    0.0013653   -0.0003711   -0.0020953
 C   -1.2060673    1.6849895   -0.1480946  0.00    0.0018033   -0.0060252   -0.0003489
 H   -1.1361972    0.6808809    0.2838871  0.00   -0.0000524   -0.0045478   -0.0007927
 C   -2.5116658    2.2031948   -0.2714712  0.00    0.0075305    0.0050341    0.0019679
 H   -2.6792978    3.2091222   -0.6716064  0.00    0.0000997    0.0014978   -0.0022809
 N   -3.5938144    1.5327776    0.0718069  0.00   -0.0030491   -0.0027688   -0.0000083
 H   -3.4589983    0.5585219    0.4342854  0.00    0.0007811   -0.0000155    0.0003383
 C   -4.9343486    2.0629839    0.0110407  0.00    0.0076060   -0.0016066    0.0013152
 H   -4.9339094    2.9521126   -0.6406701  0.00   -0.0000356   -0.0017725    0.0001056
 H   -5.5786884    1.3056987   -0.4621423  0.00   -0.0019939   -0.0016883   -0.0031399
 C   -5.4873409    2.4199128    1.3906392  0.00   -0.0002225   -0.0041417   -0.0024933
 H   -5.4767267    1.5134742    2.0206416  0.00   -0.0000961    0.0010975    0.0053744
 H   -4.8066553    3.1415294    1.8770274  0.00    0.0034180   -0.0038041   -0.0051997
 C   -6.8975709    2.9947409    1.3313548  0.00   -0.0010414   -0.0031167   -0.0017950
 H   -6.8961398    3.8962387    0.6930680  0.00    0.0003554   -0.0028079    0.0002675
 H   -7.5630732    2.2742696    0.8270896  0.00    0.0032920   -0.0027965    0.0014561
 C   -7.4580038    3.3409164    2.7020601  0.00   -0.0009468    0.0058731   -0.0001236
 H   -8.4756348    3.7519749    2.6275863  0.00   -0.0030756   -0.0033619   -0.0008196
 H   -7.5084894    2.4531158    3.3526362  0.00    0.0007009   -0.0004999   -0.0024361
 H   -6.8340975    4.0900770    3.2158778  0.00    0.0031561   -0.0010076    0.0015243
 O   -5.6837396   -1.2986144   -0.8328998  0.00    0.0016864   -0.0017646    0.0000752
 H   -4.8771898   -1.8879695   -0.4788700  0.00   -0.0011370    0.0019570    0.0034023
 C   -6.8378028   -1.7846285   -0.4913074  0.00   -0.0075918   -0.0097885    0.0029674
 O   -7.0812061   -2.7555693    0.1751436  0.00    0.0026919    0.0020099    0.0000125
 C   -7.9859114   -0.9536354   -1.1064307  0.00   -0.0047982   -0.0017643   -0.0001476
 F   -7.8018785    0.3609509   -0.9250068  0.00    0.0011058   -0.0010028   -0.0002289
 F   -8.0633138   -1.1709157   -2.4186579  0.00    0.0007625    0.0012013   -0.0012572
 F   -9.1529407   -1.2751862   -0.5631984  0.00    0.0006064    0.0001243   -0.0024469
 O   -2.8091961   -0.8926625    0.9829135  0.00   -0.0007764   -0.0047074    0.0003127
 C   -2.8767567   -2.0702511    0.6074661  0.00   -0.0026179   -0.0091455   -0.0009439
 O   -3.7493495   -2.6546415   -0.0651023  0.00    0.0006090   -0.0004538    0.0002603
 C   -1.6725595   -2.9426746    1.0395574  0.00   -0.0018324    0.0005943   -0.0010801
 F   -1.5453090   -2.9611308    2.3684995  0.00   -0.0010222   -0.0011366    0.0014994
 F   -1.7719769   -4.2077104    0.6283662  0.00    0.0006705    0.0004511   -0.0012319
 F   -0.5345552   -2.4469072    0.5349122  0.00   -0.0014244   -0.0015803    0.0060720
78
 Energy =   -2041.3869614413
 C    8.1922520   -1.4755927   -0.3359863  0.00   -0.0009297    0.0089407   -0.0024561
 C    9.1831072   -2.4467898    0.2213086  0.00    0.0030341   -0.0049823   -0.0045366
 C   10.2499820   -1.8307445    1.1055372  0.00    0.0018968   -0.0013543    0.0012219
 C   10.7570017   -0.5617428    0.4491357  0.00    0.0051760   -0.0013300    0.0010951
 C    9.6637537    0.5083340    0.3051744  0.00   -0.0014992   -0.0008809    0.0029129
 C   10.1872755    1.5853323   -0.6597679  0.00    0.0011752   -0.0043671    0.0024412
 H    9.5582264    2.4861902   -0.6768731  0.00   -0.0005568   -0.0028184   -0.0002010
 H   10.2645865    1.2017436   -1.6890263  0.00    0.0000406   -0.0003941    0.0015716
 H   11.1941349    1.8971994   -0.3410975  0.00   -0.0024480   -0.0000577   -0.0028119
 C    9.3850868    1.1688312    1.6689681  0.00    0.0038808    0.0026062   -0.0017875
 H    8.6091273    1.9435948    1.5835914  0.00   -0.0052734   -0.0027658   -0.0002572
 H   10.3010605    1.6477472    2.0497911  0.00    0.0023378   -0.0009831   -0.0010237
 H    9.0471384    0.4390010    2.4190759  0.00   -0.0027598    0.0001932   -0.0005377
 H   11.1500197   -0.8142014   -0.5524786  0.00    0.0006671    0.0032282    0.0007223
 H   11.6001772   -0.1289092    1.0104166  0.00    0.0026908    0.0012242    0.0066664
 H    9.8385132   -1.6080196    2.1041302  0.00   -0.0012757   -0.0008050   -0.0036926
 H   11.0705656   -2.5475352    1.2628896  0.00   -0.0037456    0.0006131    0.0000020
 H    8.6287777   -3.2460781    0.7488190  0.00   -0.0010351   -0.0014115   -0.0001792
 H    9.6520860   -2.9742518   -0.6353134  0.00   -0.0013696    0.0015584    0.0001132
 C    7.0621287   -2.1126984   -1.0755449  0.00    0.0053387    0.0002980    0.0000483
 H    6.5543154   -1.4257306   -1.7634352  0.00    0.0002762    0.0009317   -0.0014385
 H    6.3079597   -2.5257381   -0.3790004  0.00    0.0000160   -0.0003407    0.0003490
 H    7.4390898   -2.9769626   -1.6482975  0.00    0.0002538   -0.0024491    0.0000500
 C    8.3549370   -0.1008744   -0.2165023  0.00    0.0001585    0.0019724   -0.0013627
 C    7.3169112    0.8448425   -0.5698456  0.00    0.0007642   -0.0015195    0.0018841
 H    7.6498632    1.8210597   -0.9319210  0.00    0.0001424   -0.0000815   -0.0028341
 C    5.9697836    0.6727027   -0.3849341  0.00   -0.0002534   -0.0006254   -0.0020313
 H    5.6196641   -0.2472320    0.0951566  0.00   -0.0011806    0.0120402    0.0012279
 C    4.9430892    1.6276061   -0.7339453  0.00   -0.0018673   -0.0020148    0.0051048
 C    5.3359202    2.8844677   -1.4444639  0.00   -0.0028804    0.0009104    0.0007296
 H    4.4680690    3.4730298   -1.7657737  0.00    0.0016212   -0.0001277    0.0009404
 H    5.9316075    2.6556961   -2.3429061  0.00    0.0001421   -0.0003772   -0.0024098
 H    5.9615143    3.5281151   -0.8024600  0.00   -0.0033489    0.0008849    0.0009401
 C    3.6458589    1.3077337   -0.4003162  0.00   -0.0046244    0.0001989   -0.0068982
 H    3.4906025    0.3499156    0.1121927  0.00   -0.0010998   -0.0001067   -0.0060113
 C    2.4596102    2.0776133   -0.6445549  0.00   -0.0054669   -0.0035456   -0.0017230
 H    2.5654486    3.0537680   -1.1233304  0.00   -0.0014899    0.0016220   -0.0020033
 C    1.2085965    1.6225506   -0.3139875  0.00    0.0002336   -0.0010926   -0.0031332
 H    1.1261465    0.6309353    0.1471668  0.00   -0.0002118   -0.0005800    0.0027606
 C   -0.0321608    2.3222574   -0.5264591  0.00    0.0002280   -0.0026601    0.0043561
 C    0.0144414    3.6830971   -1.1450825  0.00    0.0004095   -0.0003915    0.0003750
 H   -0.9742325    4.1467398   -1.2453981  0.00    0.0001595   -0.0013425   -0.0002043
 H    0.4646509    3.6396479   -2.1510107  0.00    0.0013287   -0.0003412   -0.0006436
 H    0.6446797    4.3639531   -0.5484705  0.00   -0.0008194   -0.0003727   -0.0036588
 C   -1.2055518    1.6823058   -0.1486910  0.00    0.0015836   -0.0035864   -0.0014619
 H   -1.1350195    0.6787127    0.2844345  0.00    0.0003690   -0.0045221   -0.0013407
 C   -2.5115469    2.1993424   -0.2730490  0.00    0.0055929    0.0001208    0.0019651
 H   -2.6802170    3.2043768   -0.6750113  0.00    0.0007099    0.0017453   -0.0011458
 N   -3.5933037    1.5280686    0.0703727  0.00    0.0034980   -0.0000617   -0.0001618
 H   -3.4582051    0.5542231    0.4336740  0.00    0.0015273   -0.0010923    0.0001140
 C   -4.9336141    2.0578055    0.0097341  0.00   -0.0003677   -0.0011467    0.0010628
 H   -4.9334788    2.9466152   -0.6423480  0.00   -0.0007602   -0.0020536   -0.0014684
 H   -5.5785253    1.2999574   -0.4623041  0.00    0.0005165    0.0011034   -0.0022178
 C   -5.4860228    2.4162960    1.3892208  0.00   -0.0009943   -0.0024987    0.0005579
 H   -5.4753633    1.5105921    2.0202712  0.00   -0.0003456    0.0008147    0.0053245
 H   -4.8050743    3.1383368    1.8747024  0.00    0.0039585   -0.0044897   -0.0058652
 C   -6.8960595    2.9918374    1.3301288  0.00    0.0001335   -0.0025048   -0.0015175
 H   -6.8943356    3.8926858    0.6910403  0.00    0.0003151   -0.0025655   -0.0014161
 H   -7.5620266    2.2710596    0.8270868  0.00    0.0021128   -0.0029017    0.0004039
 C   -7.4562348    3.3401685    2.7004850  0.00   -0.0002439    0.0017306   -0.0025068
 H   -8.4737393    3.7516108    2.6251248  0.00   -0.0007260   -0.0023795    0.0004746
 H   -7.5074856    2.4527860    3.3513912  0.00   -0.0002122   -0.0017343   -0.0005149
 H   -6.8312500    4.0885314    3.2140322  0.00    0.0020585    0.0010871    0.0010298
 O   -5.6853593   -1.3029174   -0.8299495  0.00   -0.0033193    0.0008807   -0.0016798
 H   -4.8801060   -1.8927401   -0.4746493  0.00    0.0010511    0.0003578    0.0029557
 C   -6.8401064   -1.7887336   -0.4899500  0.00   -0.0005976   -0.0076090    0.0034751
 O   -7.0837634   -2.7593394    0.1766707  0.00   -0.0016808   -0.0021178    0.0023380
 C   -7.9872011   -0.9580481   -1.1067890  0.00   -0.0021849    0.0019045   -0.0020591
 F   -7.8037266    0.3565951   -0.9244464  0.00    0.0006581   -0.0020714    0.0001824
 F   -8.0615067   -1.1746524   -2.4192829  0.00   -0.0007314    0.0006384   -0.0017902
 F   -9.1551199   -1.2800142   -0.5661178  0.00   -0.0012894   -0.0008779   -0.0022267
 O   -2.8098259   -0.8972954    0.9820067  0.00   -0.0018432    0.0028408    0.0033511
 C   -2.8798090   -2.0757084    0.6102970  0.00    0.0022305   -0.0146298   -0.0018088
 O   -3.7534977   -2.6608323   -0.0599223  0.00   -0.0037370   -0.0019681   -0.0012969
 C   -1.6764351   -2.9483877    1.0435730  0.00    0.0013567   -0.0039103   -0.0007478
 F   -1.5479465   -2.9642226    2.3723889  0.00   -0.0026934   -0.0010282    0.0034416
 F   -1.7766999   -4.2143259    0.6350252  0.00   -0.0027033    0.0001728   -0.0005368
 F   -0.5384790   -2.4550633    0.5371246  0.00    0.0029714    0.0025701    0.0040406
78
 Energy =   -2041.3869921689
 C    8.1920327   -1.4745469   -0.3378234  0.00   -0.0026773   -0.0038347   -0.0026641
 C    9.1822129   -2.4469429    0.2198082  0.00   -0.0015959    0.0000515   -0.0027607
 C   10.2472294   -1.8314315    1.1068389  0.00   -0.0015586    0.0012311   -0.0015467
 C   10.7565763   -0.5628934    0.4511443  0.00   -0.0002809   -0.0038455   -0.0015035
 C    9.6641668    0.5080506    0.3058959  0.00    0.0001381   -0.0027411    0.0008485
 C   10.1893137    1.5844084   -0.6588435  0.00   -0.0015433   -0.0086568   -0.0013139
 H    9.5596167    2.4845511   -0.6780804  0.00   -0.0016889   -0.0001957   -0.0006364
 H   10.2688728    1.1995027   -1.6875964  0.00    0.0000503    0.0012445    0.0034290
 H   11.1950871    1.8974330   -0.3386233  0.00    0.0007932   -0.0001450   -0.0015401
 C    9.3856403    1.1691397    1.6693661  0.00    0.0011485   -0.0001381   -0.0024621
 H    8.6092943    1.9435605    1.5838838  0.00   -0.0028482   -0.0013878   -0.0003626
 H   10.3023169    1.6474431    2.0494352  0.00   -0.0006389   -0.0003081    0.0003582
 H    9.0471787    0.4393629    2.4193847  0.00   -0.0009916    0.0011134   -0.0001050
 H   11.1501269   -0.8163609   -0.5500533  0.00    0.0018000    0.0050797    0.0015568
 H   11.5990806   -0.1305289    1.0133698  0.00    0.0058824    0.0015939    0.0077945
 H    9.8326712   -1.6076462    2.1038638  0.00   -0.0006599   -0.0017959   -0.0024617
 H   11.0666473   -2.5486312    1.2668564  0.00   -0.0011186   -0.0013410    0.0005094
 H    8.6264642   -3.2463431    0.7459894  0.00    0.0012965   -0.0005785   -0.0028254
 H    9.6526934   -2.9729979   -0.6368702  0.00   -0.0018984    0.0006298    0.0015687
 C    7.0620456   -2.1113764   -1.0785720  0.00    0.0051294    0.0059278    0.0003328
 H    6.5537030   -1.4237255   -1.7655986  0.00    0.0021645    0.0001270   -0.0004906
 H    6.3076907   -2.5257473   -0.3830302  0.00    0.0009412    0.0002069    0.0018643
 H    7.4390569   -2.9747856   -1.6524685  0.00    0.0019784   -0.0026568   -0.0003532
 C    8.3552216   -0.1002635   -0.2171144  0.00    0.0025854    0.0102888   -0.0002974
 C    7.3181454    0.8465441   -0.5708926  0.00    0.0003171    0.0029867   -0.0018611
 H    7.6519070    1.8221589   -0.9349388  0.00   -0.0017296   -0.0048727    0.0002936
 C    5.9709693    0.6753026   -0.3855619  0.00   -0.0030939   -0.0033718   -0.0027190
 H    5.6210470   -0.2444146    0.0950931  0.00   -0.0010214    0.0115799    0.0022863
 C    4.9433896    1.6289995   -0.7355484  0.00    0.0009312    0.0004201    0.0028084
 C    5.3349613    2.8854718   -1.4480802  0.00   -0.0056984   -0.0034964    0.0029648
 H    4.4658220    3.4727657   -1.7678111  0.00    0.0010079    0.0014021   -0.0020656
 H    5.9291243    2.6561163   -2.3475472  0.00   -0.0004402    0.0007295    0.0002122
 H    5.9602292    3.5306890   -0.8074633  0.00   -0.0007056   -0.0001846    0.0009951
 C    3.6461747    1.3084053   -0.4020139  0.00   -0.0004692    0.0025554   -0.0058876
 H    3.4912935    0.3516294    0.1122973  0.00   -0.0002716   -0.0025114   -0.0057716
 C    2.4595018    2.0771285   -0.6472621  0.00   -0.0002403    0.0009592   -0.0055084
 H    2.5649239    3.0526066   -1.1279151  0.00   -0.0028021   -0.0010421   -0.0003737
 C    1.2091314    1.6217424   -0.3154764  0.00   -0.0012523   -0.0036912    0.0010668
 H    1.1279193    0.6309847    0.1475366  0.00   -0.0003908   -0.0022901    0.0026698
 C   -0.0321048    2.3201273   -0.5275216  0.00    0.0008264   -0.0005062    0.0004386
 C    0.0137974    3.6808861   -1.1470140  0.00   -0.0018311   -0.0042595    0.0055264
 H   -0.9755135    4.1434738   -1.2466299  0.00    0.0029331    0.0005710   -0.0012949
 H    0.4640937    3.6373439   -2.1528015  0.00    0.0000532   -0.0008067   -0.0023366
 H    0.6444204    4.3616874   -0.5506122  0.00   -0.0032570    0.0001031   -0.0041136
 C   -1.2049049    1.6793010   -0.1492761  0.00    0.0021202   -0.0038315   -0.0010633
 H   -1.1341545    0.6759683    0.2850507  0.00    0.0014532   -0.0008569   -0.0033899
 C   -2.5110245    2.1954234   -0.2748474  0.00    0.0002125   -0.0002262    0.0009088
 H   -2.6804561    3.1996913   -0.6790555  0.00    0.0013745   -0.0017823    0.0017468
 N   -3.5923924    1.5235293    0.0690448  0.00    0.0058764    0.0023876   -0.0004285
 H   -3.4568687    0.5500474    0.4331949  0.00    0.0009467   -0.0013091   -0.0003268
 C   -4.9328306    2.0525322    0.0085868  0.00   -0.0059035   -0.0028946   -0.0003902
 H   -4.9337752    2.9407212   -0.6442343  0.00    0.0001999   -0.0012759   -0.0024042
 H   -5.5781572    1.2941095   -0.4622174  0.00    0.0026506    0.0014560   -0.0019671
 C   -5.4847398    2.4124766    1.3878455  0.00    0.0006097    0.0008881    0.0030638
 H   -5.4744753    1.5077559    2.0201285  0.00   -0.0001204   -0.0015148    0.0051888
 H   -4.8024152    3.1341957    1.8721342  0.00    0.0007866   -0.0038281   -0.0058211
 C   -6.8946553    2.9886721    1.3286344  0.00    0.0040497    0.0014689    0.0005998
 H   -6.8927415    3.8890425    0.6888512  0.00    0.0001622   -0.0043057   -0.0035314
 H   -7.5607591    2.2670739    0.8270845  0.00    0.0007437   -0.0017089   -0.0006528
 C   -7.4544047    3.3394850    2.6986053  0.00    0.0014229   -0.0048905    0.0001259
 H   -8.4721029    3.7503776    2.6229435  0.00    0.0009796    0.0011855    0.0004593
 H   -7.5064766    2.4525735    3.3500225  0.00    0.0001186   -0.0030346    0.0007509
 H   -6.8283082    4.0870021    3.2123855  0.00   -0.0014005    0.0015688   -0.0026024
 O   -5.6871326   -1.3071822   -0.8270991  0.00   -0.0029812   -0.0006466   -0.0006774
 H   -4.8826069   -1.8974981   -0.4702032  0.00   -0.0010245    0.0003024    0.0009411
 C   -6.8423633   -1.7930416   -0.4886046  0.00    0.0005765   -0.0011457    0.0002424
 O   -7.0867363   -2.7630991    0.1782444  0.00   -0.0035107   -0.0086920    0.0062041
 C   -7.9887121   -0.9625272   -1.1072032  0.00    0.0032756    0.0006220   -0.0010010
 F   -7.8053947    0.3518974   -0.9233610  0.00   -0.0017660   -0.0002612    0.0006553
 F   -8.0602284   -1.1779670   -2.4199170  0.00   -0.0015305    0.0000633   -0.0045726
 F   -9.1575260   -1.2853625   -0.5692042  0.00   -0.0023965    0.0000946   -0.0014680
 O   -2.8116539   -0.9022117    0.9811489  0.00   -0.0005138   -0.0035455    0.0025003
 C   -2.8831624   -2.0818244    0.6129274  0.00    0.0003904   -0.0055995   -0.0007112
 O   -3.7583607   -2.6677354   -0.0546361  0.00   -0.0026221   -0.0018242   -0.0012510
 C   -1.6805222   -2.9544461    1.0475155  0.00   -0.0002147   -0.0006031    0.0032535
 F   -1.5523686   -2.9680282    2.3765536  0.00   -0.0016542   -0.0014031    0.0009630
 F   -1.7821091   -4.2208215    0.6412165  0.00   -0.0007513   -0.0028522   -0.0016778
 F   -0.5423353   -2.4626119    0.5403571  0.00    0.0032822    0.0008882    0.0044714
78
 Energy =   -2041.3870183469
 C    8.1915044   -1.4737477   -0.3395983  0.00   -0.0008007   -0.0062807   -0.0001474
 C    9.1808541   -2.4470513    0.2184972  0.00   -0.0030252    0.0044075   -0.0025758
 C   10.2443880   -1.8320590    1.1077447  0.00   -0.0021016   -0.0005922   -0.0018043
 C   10.7560071   -0.5640367    0.4529313  0.00   -0.0005375   -0.0035435   -0.0024583
 C    9.6645278    0.5076611    0.3063843  0.00    0.0004492   -0.0025233   -0.0004208
 C   10.1910610    1.5834310   -0.6581251  0.00   -0.0037555   -0.0049425   -0.0003293
 H    9.5606559    2.4830924   -0.6795481  0.00   -0.0012371   -0.0008559   -0.0001614
 H   10.2729069    1.1979652   -1.6862710  0.00    0.0004148   -0.0005344    0.0004265
 H   11.1957730    1.8979656   -0.3363661  0.00    0.0023667   -0.0010903   -0.0005777
 C    9.3857417    1.1693056    1.6694562  0.00   -0.0024043   -0.0020387   -0.0007587
 H    8.6092126    1.9436812    1.5837732  0.00   -0.0000518   -0.0015148   -0.0004922
 H   10.3027592    1.6468136    2.0495581  0.00   -0.0012012    0.0015524    0.0007307
 H    9.0468513    0.4397819    2.4196704  0.00   -0.0004748    0.0016623   -0.0012054
 H   11.1503187   -0.8179926   -0.5478403  0.00    0.0025621    0.0055104    0.0016948
 H   11.5982177   -0.1321223    1.0160973  0.00    0.0049041    0.0003167    0.0073203
 H    9.8273420   -1.6076950    2.1035332  0.00   -0.0003634   -0.0017556   -0.0012045
 H   11.0627107   -2.5499512    1.2700328  0.00   -0.0004258   -0.0012649    0.0003832
 H    8.6243030   -3.2468315    0.7431835  0.00    0.0012107   -0.0007026   -0.0029361
 H    9.6525233   -2.9720192   -0.6380722  0.00   -0.0010988   -0.0004049    0.0009642
 C    7.0617822   -2.1098113   -1.0813140  0.00    0.0034074    0.0058846   -0.0006861
 H    6.5532837   -1.4213136   -1.7674152  0.00    0.0026794   -0.0004181   -0.0008023
 H    6.3072402   -2.5254947   -0.3866791  0.00    0.0018603    0.0011908    0.0024487
 H    7.4388720   -2.9726306   -1.6561955  0.00    0.0023087   -0.0012232   -0.0003244
 C    8.3555688   -0.0996157   -0.2178759  0.00    0.0013253    0.0110500    0.0000972
 C    7.3191682    0.8480323   -0.5718659  0.00   -0.0016903    0.0031039   -0.0035117
 H    7.6532558    1.8230616   -0.9371649  0.00   -0.0011691   -0.0043590    0.0007773
 C    5.9719399    0.6774732   -0.3862435  0.00   -0.0027225   -0.0032911   -0.0037127
 H    5.6223412   -0.2419031    0.0950451  0.00   -0.0021315    0.0098162    0.0035960
 C    4.9437627    1.6303037   -0.7371053  0.00    0.0006901    0.0005110    0.0018392
 C    5.3338912    2.8862812   -1.4513828  0.00   -0.0042327   -0.0023452    0.0041770
 H    4.4638921    3.4728589   -1.7701002  0.00    0.0012410    0.0008938   -0.0032774
 H    5.9270480    2.6566212   -2.3515492  0.00   -0.0011102    0.0009533    0.0016389
 H    5.9592466    3.5328684   -0.8120942  0.00   -0.0003027   -0.0019464    0.0003306
 C    3.6466313    1.3090976   -0.4035990  0.00    0.0012640    0.0001246   -0.0035584
 H    3.4922271    0.3529717    0.1124235  0.00    0.0005416   -0.0004450   -0.0075512
 C    2.4594448    2.0765643   -0.6499878  0.00    0.0013420    0.0014053   -0.0050727
 H    2.5640580    3.0514031   -1.1320851  0.00   -0.0029034   -0.0011756   -0.0005544
 C    1.2096487    1.6208689   -0.3167074  0.00   -0.0010492   -0.0060055    0.0033026
 H    1.1294705    0.6307687    0.1479627  0.00   -0.0002412   -0.0020512    0.0020400
 C   -0.0320218    2.3181646   -0.5285333  0.00    0.0006068   -0.0009340   -0.0006679
 C    0.0133250    3.6786410   -1.1486397  0.00   -0.0016370   -0.0046995    0.0030751
 H   -0.9760753    4.1409991   -1.2482176  0.00    0.0028161    0.0009794   -0.0013470
 H    0.4636400    3.6348364   -2.1545795  0.00   -0.0015106   -0.0008539   -0.0002132
 H    0.6440996    4.3595842   -0.5526117  0.00   -0.0035617    0.0007249   -0.0038706
 C   -1.2042935    1.6765750   -0.1498757  0.00    0.0022241   -0.0020323   -0.0014916
 H   -1.1330023    0.6736641    0.2853948  0.00    0.0019092   -0.0007919   -0.0038789
 C   -2.5106466    2.1917340   -0.2763903  0.00    0.0000397   -0.0007015   -0.0001840
 H   -2.6805399    3.1953354   -0.6822369  0.00    0.0010543   -0.0026709    0.0031784
 N   -3.5915110    1.5192084    0.0677303  0.00    0.0008618    0.0035388    0.0002645
 H   -3.4555401    0.5460035    0.4325881  0.00    0.0002309   -0.0007975   -0.0007652
 C   -4.9324591    2.0475942    0.0075283  0.00   -0.0023919   -0.0021863   -0.0004551
 H   -4.9341697    2.9352688   -0.6459704  0.00    0.0009623   -0.0009914   -0.0027198
 H   -5.5778051    1.2888817   -0.4624344  0.00    0.0018361   -0.0010548   -0.0021641
 C   -5.4835203    2.4089930    1.3867467  0.00    0.0004638   -0.0004443    0.0020787
 H   -5.4736349    1.5049820    2.0199943  0.00    0.0003457   -0.0021926    0.0051748
 H   -4.8000398    3.1304556    1.8695359  0.00    0.0002733   -0.0018674   -0.0040156
 C   -6.8931636    2.9858448    1.3274621  0.00    0.0037433    0.0018853    0.0002682
 H   -6.8910756    3.8855303    0.6867714  0.00    0.0000656   -0.0045529   -0.0048052
 H   -7.5596646    2.2636371    0.8271989  0.00    0.0010909   -0.0002679   -0.0010510
 C   -7.4526472    3.3386679    2.6969727  0.00    0.0011597   -0.0082232    0.0033460
 H   -8.4703515    3.7497608    2.6210304  0.00    0.0034999    0.0025259    0.0002236
 H   -7.5057456    2.4521264    3.3489567  0.00    0.0008261   -0.0021013    0.0007153
 H   -6.8255676    4.0856898    3.2105152  0.00   -0.0037122    0.0013176   -0.0039927
 O   -5.6889507   -1.3112772   -0.8246130  0.00    0.0019619   -0.0015422    0.0012212
 H   -4.8849859   -1.9018837   -0.4660939  0.00   -0.0021702    0.0002360   -0.0012588
 C   -6.8444243   -1.7969621   -0.4873011  0.00   -0.0065192   -0.0038499    0.0004761
 O   -7.0898944   -2.7667112    0.1797544  0.00   -0.0016064   -0.0059072    0.0045872
 C   -7.9900939   -0.9665645   -1.1076651  0.00    0.0021151   -0.0009366   -0.0000133
 F   -7.8073920    0.3477094   -0.9223468  0.00   -0.0018763    0.0008106    0.0000978
 F   -8.0594946   -1.1809998   -2.4206704  0.00   -0.0001677    0.0003251   -0.0040063
 F   -9.1598807   -1.2901365   -0.5720484  0.00   -0.0009884    0.0003004   -0.0013298
 O   -2.8130506   -0.9069211    0.9808451  0.00    0.0009909   -0.0058811    0.0018046
 C   -2.8858420   -2.0873875    0.6153911  0.00   -0.0031536   -0.0021609   -0.0001698
 O   -3.7624621   -2.6738689   -0.0499548  0.00   -0.0005763   -0.0005636   -0.0003339
 C   -1.6839405   -2.9601617    1.0513191  0.00   -0.0014783    0.0019658    0.0028062
 F   -1.5561097   -2.9717041    2.3804340  0.00   -0.0003061   -0.0015085   -0.0002026
 F   -1.7868357   -4.2270490    0.6470442  0.00    0.0014405   -0.0030883   -0.0021236
 F   -0.5454805   -2.4696529    0.5433214  0.00    0.0018097   -0.0020648    0.0062841
78
 Energy =   -2041.3870476905
 C    8.1907261   -1.4728843   -0.3414035  0.00    0.0017941    0.0022834    0.0024254
 C    9.1788292   -2.4468990    0.2169520  0.00   -0.0001278    0.0040579   -0.0030453
 C   10.2410676   -1.8329777    1.1082062  0.00    0.0025281   -0.0020713   -0.0041805
 C   10.7553010   -0.5653954    0.4545286  0.00    0.0025640   -0.0000758    0.0034051
 C    9.6648162    0.5070683    0.3067547  0.00   -0.0003678   -0.0000039   -0.0012595
 C   10.1925603    1.5821307   -0.6575135  0.00   -0.0040191    0.0026418    0.0016888
 H    9.5614163    2.4813804   -0.6813582  0.00    0.0000161   -0.0026799    0.0007865
 H   10.2767983    1.1961718   -1.6849314  0.00    0.0008334   -0.0033736   -0.0043874
 H   11.1962632    1.8982030   -0.3342295  0.00    0.0030905   -0.0018111    0.0001147
 C    9.3852606    1.1693346    1.6692976  0.00   -0.0039027   -0.0017966    0.0016961
 H    8.6088443    1.9439252    1.5829849  0.00    0.0027985   -0.0018897   -0.0007362
 H   10.3024615    1.6458491    2.0501963  0.00   -0.0019251    0.0032510    0.0000729
 H    9.0454158    0.4404562    2.4197040  0.00   -0.0007658    0.0003905   -0.0018173
 H   11.1512448   -0.8189405   -0.5454994  0.00    0.0026141    0.0035137   -0.0008622
 H   11.5973571   -0.1340210    1.0191465  0.00   -0.0006800   -0.0026273    0.0050758
 H    9.8220917   -1.6083969    2.1028273  0.00   -0.0016705   -0.0001935    0.0028705
 H   11.0582338   -2.5517284    1.2724006  0.00    0.0000395   -0.0013566   -0.0000029
 H    8.6220231   -3.2475484    0.7396753  0.00   -0.0012563   -0.0014207   -0.0010019
 H    9.6514786   -2.9709905   -0.6394671  0.00    0.0004868   -0.0007884   -0.0008664
 C    7.0614344   -2.1076284   -1.0840557  0.00    0.0021075   -0.0000724   -0.0019735
 H    6.5532121   -1.4180166   -1.7689373  0.00    0.0007616    0.0000809   -0.0034481
 H    6.3069904   -2.5246284   -0.3900704  0.00    0.0013567    0.0020391    0.0023538
 H    7.4386081   -2.9700668   -1.6598763  0.00    0.0012558    0.0020252    0.0002087
 C    8.3559281   -0.0986110   -0.2188493  0.00   -0.0024340    0.0011802    0.0002380
 C    7.3199924    0.8495132   -0.5731175  0.00   -0.0040074   -0.0012288   -0.0024171
 H    7.6541823    1.8237945   -0.9390201  0.00    0.0012576    0.0025934   -0.0018996
 C    5.9727747    0.6793819   -0.3872561  0.00    0.0004802    0.0000636   -0.0040882
 H    5.6237104   -0.2393499    0.0949502  0.00   -0.0046730    0.0052715    0.0056163
 C    4.9441739    1.6315390   -0.7386863  0.00   -0.0018562   -0.0005776   -0.0005706
 C    5.3327056    2.8868250   -1.4547194  0.00   -0.0001601    0.0031205    0.0048288
 H    4.4622584    3.4732786   -1.7727899  0.00    0.0019969   -0.0011620   -0.0026323
 H    5.9249990    2.6570751   -2.3554745  0.00   -0.0013946   -0.0000114    0.0020483
 H    5.9586904    3.5343590   -0.8167461  0.00   -0.0012432   -0.0033269   -0.0008061
 C    3.6472207    1.3096725   -0.4053705  0.00    0.0008452   -0.0037066   -0.0008088
 H    3.4933626    0.3541205    0.1124256  0.00    0.0011809    0.0030384   -0.0100331
 C    2.4593926    2.0756605   -0.6532115  0.00   -0.0012455   -0.0025188    0.0001993
 H    2.5624830    3.0498765   -1.1364896  0.00   -0.0014163    0.0006426   -0.0024093
 C    1.2102569    1.6195175   -0.3177681  0.00    0.0008596   -0.0059094    0.0024207
 H    1.1310692    0.6300522    0.1485630  0.00    0.0001987   -0.0010821    0.0013219
 C   -0.0318577    2.3159045   -0.5295447  0.00    0.0005355   -0.0035449    0.0004209
 C    0.0131131    3.6758105   -1.1501626  0.00    0.0000886    0.0003557   -0.0041437
 H   -0.9757133    4.1390588   -1.2505244  0.00   -0.0001613   -0.0009969   -0.0001878
 H    0.4633562    3.6314509   -2.1563644  0.00   -0.0021306   -0.0006366    0.0031825
 H    0.6437728    4.3572742   -0.5547218  0.00   -0.0019803    0.0005801   -0.0033752
 C   -1.2035717    1.6736094   -0.1506180  0.00    0.0015955   -0.0009193   -0.0011732
 H   -1.1311021    0.6710597    0.2851960  0.00    0.0006372   -0.0015765   -0.0036868
 C   -2.5102493    2.1878415   -0.2776544  0.00    0.0031415   -0.0035769   -0.0008149
 H   -2.6802939    3.1908386   -0.6845944  0.00   -0.0002590   -0.0006364    0.0032298
 N   -3.5905604    1.5146163    0.0664690  0.00   -0.0063101    0.0032570    0.0014048
 H   -3.4540253    0.5416434    0.4319198  0.00   -0.0006616    0.0000879   -0.0010549
 C   -4.9322091    2.0423244    0.0064925  0.00    0.0060524    0.0009900   -0.0000022
 H   -4.9342658    2.9295467   -0.6476834  0.00    0.0009074   -0.0010737   -0.0022802
 H   -5.5772306    1.2834871   -0.4630728  0.00   -0.0007816   -0.0049242   -0.0019969
 C   -5.4821577    2.4052816    1.3858231  0.00   -0.0006407   -0.0043450   -0.0019766
 H   -5.4725786    1.5018826    2.0200279  0.00    0.0008789   -0.0012978    0.0048583
 H   -4.7974621    3.1266041    1.8664979  0.00    0.0013618    0.0007987   -0.0004097
 C   -6.8913374    2.9830277    1.3265025  0.00   -0.0009118   -0.0014559   -0.0012622
 H   -6.8891362    3.8815927    0.6843572  0.00    0.0002978   -0.0030503   -0.0045428
 H   -7.5584662    2.2603816    0.8274251  0.00    0.0024930    0.0008503   -0.0008553
 C   -7.4507568    3.3375584    2.6956135  0.00    0.0007587   -0.0074085    0.0028042
 H   -8.4681931    3.7497721    2.6193621  0.00    0.0064660    0.0009398   -0.0000425
 H   -7.5047170    2.4513302    3.3481101  0.00    0.0010813    0.0000414    0.0007102
 H   -6.8227726    4.0845313    3.2081149  0.00   -0.0042331    0.0007922   -0.0023618
 O   -5.6911936   -1.3157926   -0.8221262  0.00    0.0023591   -0.0025869    0.0036085
 H   -4.8879243   -1.9063563   -0.4619441  0.00   -0.0013807   -0.0007091   -0.0031345
 C   -6.8470184   -1.8012620   -0.4858446  0.00   -0.0109451   -0.0093921    0.0015593
 O   -7.0935488   -2.7707679    0.1815741  0.00    0.0007877    0.0031462   -0.0010690
 C   -7.9916980   -0.9707758   -1.1083629  0.00   -0.0036715   -0.0012886    0.0005659
 F   -7.8099603    0.3434402   -0.9216331  0.00    0.0002716    0.0004220   -0.0004029
 F   -8.0589987   -1.1841067   -2.4217787  0.00    0.0021381   -0.0000291   -0.0003469
 F   -9.1626100   -1.2948369   -0.5751544  0.00    0.0011408   -0.0006308   -0.0019834
 O   -2.8139994   -0.9119288    0.9812452  0.00    0.0006884   -0.0033423    0.0012891
 C   -2.8885155   -2.0929062    0.6179847  0.00   -0.0030228   -0.0036226    0.0006126
 O   -3.7664611   -2.6796162   -0.0454979  0.00    0.0011821    0.0001627    0.0007951
 C   -1.6873217   -2.9660189    1.0552749  0.00   -0.0008042    0.0002879   -0.0008480
 F   -1.5597039   -2.9756241    2.3843219  0.00    0.0000019   -0.0017865    0.0008408
 F   -1.7911942   -4.2335912    0.6528271  0.00    0.0016563   -0.0007325   -0.0014144
 F   -0.5483563   -2.4771810    0.5465885  0.00   -0.0002954   -0.0030033    0.0073421
78
 Energy =   -2041.3870703851
 C    8.1901112   -1.4719106   -0.3430790  0.00    0.0028342    0.0056425    0.0031245
 C    9.1771452   -2.4467140    0.2153270  0.00    0.0012205    0.0028539   -0.0029364
 C   10.2381793   -1.8338386    1.1085047  0.00    0.0036713   -0.0044242    0.0002247
 C   10.7547327   -0.5666438    0.4562321  0.00    0.0046116    0.0025262    0.0012929
 C    9.6650759    0.5065815    0.3071358  0.00   -0.0008744    0.0008470   -0.0003734
 C   10.1939479    1.5809247   -0.6569105  0.00   -0.0017842    0.0053718    0.0013608
 H    9.5622193    2.4797020   -0.6827591  0.00    0.0004891   -0.0025143    0.0008262
 H   10.2803120    1.1940108   -1.6837182  0.00    0.0009009   -0.0035589   -0.0056107
 H   11.1968844    1.8980008   -0.3321564  0.00    0.0028417   -0.0020149    0.0000147
 C    9.3848204    1.1694136    1.6692768  0.00   -0.0039254   -0.0011929    0.0016642
 H    8.6086074    1.9441624    1.5821677  0.00    0.0042648   -0.0013190   -0.0008313
 H   10.3022042    1.6452701    2.0507035  0.00   -0.0033772    0.0037080   -0.0000853
 H    9.0438690    0.4411036    2.4196451  0.00   -0.0006047   -0.0009589   -0.0012784
 H   11.1524607   -0.8199022   -0.5432950  0.00    0.0010410    0.0031570    0.0005364
 H   11.5964531   -0.1358729    1.0221512  0.00   -0.0035032   -0.0038725    0.0048024
 H    9.8169622   -1.6090012    2.1022344  0.00   -0.0002962   -0.0002303    0.0018977
 H   11.0542852   -2.5534653    1.2746416  0.00   -0.0006650   -0.0003330   -0.0005271
 H    8.6198095   -3.2481156    0.7363000  0.00   -0.0018807   -0.0008126   -0.0003299
 H    9.6507440   -2.9700284   -0.6409790  0.00    0.0012044   -0.0006788   -0.0019526
 C    7.0611638   -2.1056095   -1.0866654  0.00    0.0005534   -0.0024496   -0.0028312
 H    6.5529997   -1.4150125   -1.7704728  0.00   -0.0000234   -0.0001340   -0.0047521
 H    6.3068428   -2.5237521   -0.3932247  0.00    0.0008766    0.0025652    0.0023752
 H    7.4383341   -2.9675719   -1.6634119  0.00    0.0010476    0.0038441    0.0003161
 C    8.3561850   -0.0976390   -0.2196568  0.00   -0.0041030   -0.0051898    0.0001446
 C    7.3207776    0.8509590   -0.5744198  0.00   -0.0039751   -0.0027070   -0.0019979
 H    7.6553693    1.8246011   -0.9410859  0.00    0.0017988    0.0059055   -0.0031659
 C    5.9736155    0.6812305   -0.3882936  0.00    0.0014606    0.0018701   -0.0035500
 H    5.6249248   -0.2369048    0.0948606  0.00   -0.0059990    0.0020149    0.0069405
 C    4.9445178    1.6326440   -0.7401963  0.00   -0.0025216   -0.0000798   -0.0038245
 C    5.3317210    2.8873548   -1.4578819  0.00    0.0010225    0.0046546    0.0054074
 H    4.4607745    3.4734631   -1.7752901  0.00    0.0020028   -0.0017320   -0.0021895
 H    5.9228437    2.6573307   -2.3593261  0.00   -0.0007728   -0.0007462    0.0022594
 H    5.9582572    3.5355739   -0.8211420  0.00   -0.0008941   -0.0032662   -0.0011640
 C    3.6477655    1.3101076   -0.4070811  0.00    0.0007979   -0.0043516    0.0009195
 H    3.4944783    0.3552940    0.1123588  0.00    0.0013787    0.0035072   -0.0110131
 C    2.4593295    2.0747425   -0.6561512  0.00   -0.0020705   -0.0039739    0.0028770
 H    2.5610382    3.0484296   -1.1407423  0.00   -0.0004293    0.0001766   -0.0028334
 C    1.2108831    1.6181062   -0.3187830  0.00    0.0015395   -0.0052257    0.0020042
 H    1.1326665    0.6292991    0.1491401  0.00    0.0005104   -0.0008062    0.0008645
 C   -0.0316455    2.3136326   -0.5304961  0.00    0.0005253   -0.0039771    0.0004036
 C    0.0129231    3.6731784   -1.1516971  0.00    0.0005479    0.0014771   -0.0061827
 H   -0.9755572    4.1368334   -1.2525262  0.00   -0.0027889   -0.0018530    0.0002939
 H    0.4630777    3.6282256   -2.1579206  0.00   -0.0018480   -0.0003488    0.0032633
 H    0.6434682    4.3550660   -0.5567497  0.00   -0.0007558    0.0007542   -0.0028324
 C   -1.2028576    1.6706979   -0.1513311  0.00    0.0007881    0.0003400   -0.0013953
 H   -1.1294103    0.6684569    0.2848849  0.00   -0.0002575   -0.0026390   -0.0032271
 C   -2.5098147    2.1840703   -0.2788861  0.00    0.0036738   -0.0054223   -0.0007433
 H   -2.6801371    3.1866067   -0.6867101  0.00   -0.0009272    0.0002007    0.0034284
 N   -3.5897403    1.5103098    0.0653728  0.00   -0.0072693    0.0026977    0.0014290
 H   -3.4527391    0.5375719    0.4312870  0.00   -0.0012951    0.0000895   -0.0008706
 C   -4.9317494    2.0372997    0.0054707  0.00    0.0076191    0.0020453   -0.0003150
 H   -4.9341656    2.9240978   -0.6493032  0.00    0.0005940   -0.0010152   -0.0021866
 H   -5.5766373    1.2781027   -0.4636282  0.00   -0.0011204   -0.0058180   -0.0010195
 C   -5.4808712    2.4016356    1.3848397  0.00   -0.0011536   -0.0051493   -0.0036563
 H   -5.4714704    1.4989571    2.0201671  0.00    0.0010748   -0.0007277    0.0038846
 H   -4.7950276    3.1229155    1.8636864  0.00    0.0011578    0.0022468    0.0018539
 C   -6.8897188    2.9802880    1.3255115  0.00   -0.0022594   -0.0033839   -0.0020823
 H   -6.8873420    3.8778638    0.6819763  0.00    0.0004400   -0.0025733   -0.0036788
 H   -7.5572623    2.2572360    0.8275060  0.00    0.0024974    0.0011828   -0.0008825
 C   -7.4488989    3.3364931    2.6943496  0.00    0.0002368   -0.0071026    0.0019014
 H   -8.4660902    3.7496839    2.6178997  0.00    0.0087591   -0.0004457   -0.0003099
 H   -7.5035187    2.4506838    3.3474884  0.00    0.0011615    0.0015969    0.0004526
 H   -6.8201661    4.0834502    3.2059133  0.00   -0.0042201    0.0006386   -0.0013505
 O   -5.6934863   -1.3202392   -0.8195742  0.00    0.0029594   -0.0015755    0.0036422
 H   -4.8907958   -1.9106543   -0.4580267  0.00   -0.0008506   -0.0021039   -0.0042043
 C   -6.8496821   -1.8055111   -0.4844995  0.00   -0.0128155   -0.0108631    0.0024338
 O   -7.0970335   -2.7746023    0.1833561  0.00    0.0006107    0.0066152   -0.0036377
 C   -7.9933464   -0.9748844   -1.1090082  0.00   -0.0046740   -0.0014336    0.0004313
 F   -7.8122025    0.3392879   -0.9210120  0.00    0.0008279   -0.0005940   -0.0004802
 F   -8.0582071   -1.1871984   -2.4228050  0.00    0.0027272   -0.0002954    0.0022976
 F   -9.1652222   -1.2994178   -0.5781810  0.00    0.0012994   -0.0009723   -0.0026623
 O   -2.8150281   -0.9166303    0.9816175  0.00    0.0003080   -0.0015108    0.0007928
 C   -2.8912614   -2.0981146    0.6204766  0.00   -0.0012936   -0.0039334    0.0012964
 O   -3.7704013   -2.6849997   -0.0412607  0.00    0.0021862    0.0000372    0.0014473
 C   -1.6906948   -2.9715548    1.0589323  0.00   -0.0000296   -0.0012518   -0.0019816
 F   -1.5632406   -2.9793303    2.3879759  0.00   -0.0002921   -0.0022501    0.0014179
 F   -1.7954155   -4.2397190    0.6582065  0.00    0.0011155    0.0003679   -0.0009272
 F   -0.5512054   -2.4844383    0.5497889  0.00   -0.0013563   -0.0026240    0.0071352
78
 Energy =   -2041.3870974265
 C    8.1897811   -1.4703273   -0.3447272  0.00   -0.0012125   -0.0013613   -0.0017820
 C    9.1758613   -2.4462157    0.2128701  0.00    0.0011399   -0.0042407    0.0008366
 C   10.2358791   -1.8352003    1.1083081  0.00    0.0029218   -0.0003798    0.0015142
 C   10.7547611   -0.5678216    0.4579184  0.00   -0.0017949    0.0021608   -0.0004258
 C    9.6652987    0.5061080    0.3076709  0.00   -0.0002429   -0.0007057    0.0008784
 C   10.1950646    1.5795223   -0.6563806  0.00    0.0041748   -0.0031565   -0.0050789
 H    9.5628961    2.4775808   -0.6833760  0.00    0.0003134    0.0023714   -0.0011915
 H   10.2827650    1.1903516   -1.6827939  0.00    0.0000643    0.0025569    0.0014942
 H   11.1977816    1.8960472   -0.3304269  0.00    0.0023731    0.0007249   -0.0014813
 C    9.3838927    1.1695874    1.6693125  0.00    0.0009626    0.0011612   -0.0027861
 H    8.6084444    1.9445574    1.5801702  0.00    0.0014760    0.0013994   -0.0002743
 H   10.3010416    1.6457509    2.0513969  0.00   -0.0056615    0.0007771    0.0003796
 H    9.0408504    0.4420011    2.4190739  0.00    0.0001920   -0.0031736    0.0024503
 H   11.1550529   -0.8202284   -0.5409685  0.00   -0.0017187    0.0029339    0.0021750
 H   11.5954797   -0.1381027    1.0258664  0.00   -0.0029126   -0.0019036    0.0065819
 H    9.8126020   -1.6102992    2.1013051  0.00    0.0011726   -0.0008191    0.0003751
 H   11.0507988   -2.5556573    1.2757840  0.00    0.0008915   -0.0015491   -0.0003716
 H    8.6175706   -3.2485051    0.7320891  0.00   -0.0000383    0.0028613   -0.0016738
 H    9.6502528   -2.9692468   -0.6433209  0.00    0.0002942    0.0020326   -0.0018090
 C    7.0609069   -2.1032537   -1.0892115  0.00    0.0004673    0.0001380   -0.0019946
 H    6.5525080   -1.4118896   -1.7721196  0.00    0.0002627   -0.0010760   -0.0044516
 H    6.3070987   -2.5221055   -0.3957595  0.00   -0.0007159    0.0021011    0.0022563
 H    7.4379770   -2.9645892   -1.6667753  0.00    0.0017265    0.0029161   -0.0005875
 C    8.3561694   -0.0964258   -0.2202691  0.00   -0.0000698   -0.0062021   -0.0000760
 C    7.3213891    0.8524922   -0.5763363  0.00    0.0029178    0.0011093   -0.0019540
 H    7.6568932    1.8257024   -0.9441112  0.00   -0.0013683    0.0022715   -0.0020431
 C    5.9744662    0.6829090   -0.3899113  0.00   -0.0028755    0.0015589    0.0011111
 H    5.6257161   -0.2343563    0.0948466  0.00   -0.0042659    0.0005738    0.0062381
 C    4.9446941    1.6334287   -0.7418445  0.00   -0.0000375    0.0025403   -0.0094854
 C    5.3310111    2.8876883   -1.4607950  0.00   -0.0011856   -0.0013141    0.0022518
 H    4.4598582    3.4733686   -1.7778640  0.00   -0.0002794    0.0007474   -0.0008269
 H    5.9202126    2.6567655   -2.3632372  0.00    0.0016318   -0.0005919    0.0028646
 H    5.9584405    3.5354682   -0.8251141  0.00    0.0020637    0.0012467    0.0001578
 C    3.6483396    1.3099601   -0.4090873  0.00   -0.0000528    0.0022868    0.0001783
 H    3.4959240    0.3562989    0.1118009  0.00    0.0001934   -0.0032736   -0.0084730
 C    2.4591371    2.0731254   -0.6590980  0.00    0.0004619   -0.0013667    0.0022753
 H    2.5589591    3.0465010   -1.1453961  0.00    0.0007332   -0.0053504   -0.0004425
 C    1.2117227    1.6156321   -0.3196321  0.00   -0.0010602   -0.0007230    0.0007116
 H    1.1344935    0.6276827    0.1500837  0.00    0.0007072   -0.0018143    0.0006768
 C   -0.0310802    2.3106446   -0.5313167  0.00    0.0010452   -0.0006321   -0.0013232
 C    0.0130615    3.6701094   -1.1533005  0.00   -0.0013335   -0.0011196    0.0017429
 H   -0.9753189    4.1335886   -1.2543908  0.00   -0.0056699   -0.0020495   -0.0001388
 H    0.4630343    3.6244593   -2.1590402  0.00    0.0010935   -0.0002212   -0.0038915
 H    0.6431431    4.3528875   -0.5589239  0.00    0.0002359   -0.0002551   -0.0021971
 C   -1.2019226    1.6672968   -0.1522143  0.00   -0.0006993   -0.0020773   -0.0014489
 H   -1.1277607    0.6649415    0.2835137  0.00   -0.0009490   -0.0032624   -0.0019970
 C   -2.5090430    2.1799005   -0.2799467  0.00   -0.0010657   -0.0024312    0.0011850
 H   -2.6797533    3.1826045   -0.6872821  0.00   -0.0004403   -0.0004364    0.0026105
 N   -3.5890040    1.5061797    0.0646685  0.00    0.0046114   -0.0020940   -0.0007803
 H   -3.4518750    0.5336297    0.4305616  0.00   -0.0011936   -0.0020929    0.0008824
 C   -4.9307343    2.0320758    0.0043414  0.00   -0.0045498   -0.0010465   -0.0020009
 H   -4.9334244    2.9185077   -0.6509220  0.00   -0.0009569   -0.0008801   -0.0022244
 H   -5.5755378    1.2718286   -0.4643889  0.00    0.0030444    0.0000834    0.0024098
 C   -5.4795472    2.3974488    1.3836774  0.00   -0.0004871   -0.0003939   -0.0007385
 H   -5.4699421    1.4959080    2.0209803  0.00    0.0005072    0.0005538   -0.0005949
 H   -4.7925154    3.1189658    1.8607791  0.00   -0.0012978    0.0018237    0.0023516
 C   -6.8882026    2.9772904    1.3244307  0.00    0.0024865   -0.0024842   -0.0015843
 H   -6.8854600    3.8738167    0.6790085  0.00    0.0003652   -0.0042555    0.0010234
 H   -7.5557028    2.2540478    0.8272184  0.00   -0.0014839   -0.0017325   -0.0014775
 C   -7.4467760    3.3350435    2.6934183  0.00    0.0041506   -0.0029294   -0.0035510
 H   -8.4633196    3.7495792    2.6171083  0.00    0.0059850   -0.0028363   -0.0008790
 H   -7.5010593    2.4501619    3.3477065  0.00   -0.0000967    0.0009295    0.0004185
 H   -6.8177616    4.0827036    3.2034946  0.00   -0.0019499    0.0000608   -0.0005004
 O   -5.6966418   -1.3252862   -0.8166009  0.00   -0.0048132    0.0003040    0.0004929
 H   -4.8943333   -1.9150592   -0.4542806  0.00   -0.0004371   -0.0045392   -0.0035015
 C   -6.8536424   -1.8105950   -0.4832056  0.00    0.0016495    0.0033720    0.0000445
 O   -7.1013783   -2.7785757    0.1855510  0.00   -0.0056580   -0.0034045    0.0005414
 C   -7.9956247   -0.9794006   -1.1098475  0.00    0.0022017   -0.0008459    0.0001279
 F   -7.8144423    0.3346893   -0.9206349  0.00   -0.0002944   -0.0022795    0.0006700
 F   -8.0568088   -1.1905717   -2.4239670  0.00   -0.0006807   -0.0014409    0.0018670
 F   -9.1683223   -1.3042437   -0.5816865  0.00   -0.0039620   -0.0010002   -0.0037873
 O   -2.8164258   -0.9214507    0.9828264  0.00   -0.0003657    0.0038673    0.0009018
 C   -2.8944032   -2.1031139    0.6230409  0.00    0.0058849   -0.0045729    0.0023571
 O   -3.7744459   -2.6896608   -0.0374791  0.00    0.0010957   -0.0046888    0.0001008
 C   -1.6943110   -2.9770439    1.0622452  0.00   -0.0000103   -0.0041516    0.0032127
 F   -1.5674707   -2.9837246    2.3914405  0.00   -0.0024241   -0.0028069    0.0028839
 F   -1.7991926   -4.2455026    0.6626571  0.00   -0.0029086   -0.0027987   -0.0020246
 F   -0.5540024   -2.4919074    0.5540046  0.00    0.0018829    0.0035627    0.0021795
78
 Energy =   -2041.3871181638
 C    8.1893251   -1.4692933   -0.3463740  0.00   -0.0009536   -0.0021872   -0.0021310
 C    9.1746625   -2.4460298    0.2110458  0.00   -0.0000870   -0.0039735    0.0021425
 C   10.2336110   -1.8361767    1.1084778  0.00    0.0007169   -0.0013985    0.0058674
 C   10.7544088   -0.5689052    0.4596430  0.00   -0.0021421    0.0020421   -0.0046845
 C    9.6655467    0.5056321    0.3080874  0.00   -0.0005852   -0.0002455    0.0015655
 C   10.1964003    1.5783096   -0.6559163  0.00    0.0048922   -0.0021526   -0.0058614
 H    9.5636967    2.4759493   -0.6845127  0.00    0.0015021    0.0027380   -0.0011757
 H   10.2855246    1.1881906   -1.6818782  0.00    0.0003204    0.0030106    0.0018136
 H   11.1985792    1.8953323   -0.3287842  0.00    0.0022178    0.0011408   -0.0019442
 C    9.3833326    1.1697245    1.6692663  0.00    0.0011246    0.0012327   -0.0032014
 H    8.6083202    1.9449100    1.5789467  0.00    0.0008273    0.0021714    0.0000092
 H   10.3002675    1.6457450    2.0520185  0.00   -0.0054745    0.0004888    0.0003630
 H    9.0391686    0.4426248    2.4189551  0.00    0.0003333   -0.0035066    0.0027796
 H   11.1564032   -0.8209371   -0.5388363  0.00   -0.0030439    0.0030750    0.0042854
 H   11.5945051   -0.1399504    1.0290229  0.00   -0.0031279   -0.0012519    0.0072889
 H    9.8082356   -1.6110226    2.1007498  0.00    0.0029214   -0.0018285   -0.0019893
 H   11.0473793   -2.5576271    1.2776096  0.00    0.0008715   -0.0001605   -0.0008861
 H    8.6155090   -3.2488440    0.7285728  0.00    0.0004959    0.0031951   -0.0013312
 H    9.6499134   -2.9682199   -0.6450809  0.00    0.0008382    0.0019177   -0.0029570
 C    7.0606495   -2.1013157   -1.0917471  0.00   -0.0002027   -0.0003309   -0.0017993
 H    6.5521537   -1.4092690   -1.7738913  0.00    0.0004828   -0.0014016   -0.0045306
 H    6.3070177   -2.5209844   -0.3985799  0.00   -0.0010204    0.0020633    0.0017522
 H    7.4379417   -2.9620682   -1.6700452  0.00    0.0013121    0.0029743   -0.0009324
 C    8.3562771   -0.0955845   -0.2209288  0.00    0.0009393   -0.0065144   -0.0008296
 C    7.3221248    0.8539371   -0.5778127  0.00    0.0027920    0.0011496   -0.0015583
 H    7.6579384    1.8267201   -0.9466924  0.00   -0.0017010    0.0009718   -0.0014730
 C    5.9752062    0.6846943   -0.3910343  0.00   -0.0019764    0.0015353    0.0022458
 H    5.6265667   -0.2319713    0.0948895  0.00   -0.0038005   -0.0004131    0.0061577
 C    4.9449300    1.6344246   -0.7435082  0.00    0.0003293    0.0023424   -0.0106754
 C    5.3301448    2.8881868   -1.4636693  0.00   -0.0001172   -0.0017221    0.0004186
 H    4.4585958    3.4734689   -1.7803250  0.00   -0.0003808    0.0011976   -0.0001657
 H    5.9181780    2.6565818   -2.3667257  0.00    0.0021864   -0.0003011    0.0031769
 H    5.9583419    3.5362639   -0.8291584  0.00    0.0023560    0.0022102    0.0002207
 C    3.6488628    1.3101735   -0.4107974  0.00   -0.0001307    0.0027289    0.0012898
 H    3.4972067    0.3571845    0.1114808  0.00    0.0000400   -0.0039667   -0.0087431
 C    2.4590440    2.0719758   -0.6617104  0.00    0.0010805   -0.0011931    0.0027926
 H    2.5575107    3.0448037   -1.1495532  0.00    0.0013498   -0.0070216    0.0002689
 C    1.2123681    1.6138615   -0.3205396  0.00   -0.0011746    0.0006225    0.0006932
 H    1.1361774    0.6265760    0.1508053  0.00    0.0006105   -0.0013390   -0.0000359
 C   -0.0307230    2.3081797   -0.5322166  0.00    0.0008093    0.0000742   -0.0018458
 C    0.0128835    3.6674840   -1.1547826  0.00   -0.0016142   -0.0018902    0.0020906
 H   -0.9755476    4.1307205   -1.2560488  0.00   -0.0066455   -0.0022758   -0.0001675
 H    0.4627734    3.6214899   -2.1605058  0.00    0.0010849   -0.0002948   -0.0045155
 H    0.6427600    4.3508782   -0.5609351  0.00    0.0005691   -0.0006551   -0.0016366
 C   -1.2011767    1.6643065   -0.1529611  0.00   -0.0010773   -0.0037267   -0.0015436
 H   -1.1265416    0.6619468    0.2828074  0.00   -0.0008196   -0.0025354   -0.0019312
 C   -2.5084610    2.1761093   -0.2811090  0.00   -0.0029074   -0.0011119    0.0022953
 H   -2.6795854    3.1786626   -0.6885728  0.00   -0.0003933   -0.0000960    0.0020567
 N   -3.5881852    1.5021918    0.0638095  0.00    0.0057167   -0.0044409   -0.0014846
 H   -3.4509694    0.5298190    0.4300357  0.00   -0.0009171   -0.0025723    0.0012034
 C   -4.9301229    2.0272632    0.0032895  0.00   -0.0052446   -0.0009199   -0.0013684
 H   -4.9333105    2.9132927   -0.6525426  0.00   -0.0013678   -0.0010786   -0.0021603
 H   -5.5745898    1.2662979   -0.4648243  0.00    0.0028679    0.0005135    0.0030927
 C   -5.4783310    2.3937601    1.3826280  0.00    0.0009071    0.0017792   -0.0005400
 H   -5.4687062    1.4931239    2.0213494  0.00    0.0003455    0.0008716   -0.0027315
 H   -4.7903640    3.1154702    1.8582006  0.00   -0.0025023    0.0017786    0.0030435
 C   -6.8866267    2.9744823    1.3233224  0.00    0.0027255   -0.0032900   -0.0021352
 H   -6.8836958    3.8701381    0.6765385  0.00    0.0005194   -0.0048224    0.0028271
 H   -7.5544118    2.2509235    0.8270548  0.00   -0.0026395   -0.0021597   -0.0015519
 C   -7.4446969    3.3338221    2.6921208  0.00    0.0032987   -0.0016674   -0.0043277
 H   -8.4609270    3.7491526    2.6156495  0.00    0.0058598   -0.0037495   -0.0011307
 H   -7.4994314    2.4496848    3.3474222  0.00    0.0000821    0.0013030   -0.0001501
 H   -6.8153576    4.0818151    3.2012040  0.00   -0.0007840    0.0000517    0.0000728
 O   -5.6991358   -1.3297231   -0.8139793  0.00   -0.0043561    0.0002680    0.0000211
 H   -4.8972472   -1.9193366   -0.4506146  0.00   -0.0006487   -0.0056810   -0.0041009
 C   -6.8565867   -1.8148916   -0.4819676  0.00    0.0010997    0.0047125    0.0017032
 O   -7.1053510   -2.7822276    0.1873433  0.00   -0.0053786   -0.0033552   -0.0005495
 C   -7.9974249   -0.9834971   -1.1104426  0.00    0.0033566   -0.0009157   -0.0003881
 F   -7.8164209    0.3304761   -0.9199626  0.00   -0.0011830   -0.0028759    0.0008855
 F   -8.0558756   -1.1936629   -2.4248773  0.00   -0.0013845   -0.0017031    0.0026745
 F   -9.1711202   -1.3087585   -0.5847866  0.00   -0.0037772   -0.0004457   -0.0045041
 O   -2.8176187   -0.9258339    0.9833456  0.00   -0.0007638    0.0007795   -0.0007250
 C   -2.8970309   -2.1080670    0.6254204  0.00    0.0059150   -0.0020708    0.0032154
 O   -3.7781427   -2.6948644   -0.0335164  0.00    0.0027341   -0.0034066    0.0010447
 C   -1.6976345   -2.9824209    1.0656828  0.00   -0.0000142   -0.0039960    0.0038490
 F   -1.5714931   -2.9879476    2.3949857  0.00   -0.0021882   -0.0031675    0.0023138
 F   -1.8032881   -4.2512450    0.6672412  0.00   -0.0024309   -0.0017759   -0.0021556
 F   -0.5567221   -2.4985107    0.5576140  0.00    0.0006889    0.0027123    0.0023149
