19
 Energy =    -326.8891542192
 C   -1.9104972   -0.3080719    0.0000000  0.00   -1.0929580    1.1990371    0.0000000
 H   -1.8988507   -1.3780082    0.0000000  0.00   -0.1269537   -0.3993025   -0.0000000
 C   -0.7429399    0.3799514    0.0000000  0.00    1.2821868   -1.2685235    0.0000000
 H   -0.7545864    1.4498877    0.0000000  0.00    0.1312960    0.3769762    0.0000000
 C    0.6005345   -0.3728270    0.0000000  0.00   -1.3853442    1.1870192    0.0000000
 H    0.6121810   -1.4427633    0.0000000  0.00   -0.1277861   -0.4037280    0.0000000
 C    1.7680917    0.3151962    0.0000000  0.00    1.5887051   -1.2363161    0.0000000
 H    1.7628024    1.3851829    0.0000000  0.00    0.1352724    0.3845219   -0.0000000
 C    3.1070698   -0.4455510    0.0000000  0.00   -2.0690846    1.2420836    0.0000000
 H    3.1123592   -1.5155376    0.0000000  0.00    0.0256131   -0.3741103    0.0000000
 N    4.2254387    0.2045653    0.0000000  0.00    0.0751979   -0.1976322   -0.0000000
 H    5.0929415   -0.2928665    0.0000000  0.00    0.4474612   -0.0860908   -0.0000000
 H    4.2224758    1.2045606    0.0000000  0.00    0.1307329    0.4312962   -0.0000000
 C   -3.2539715    0.4447065    0.0000000  0.00    0.7315990   -1.3112607   -0.0000000
 H   -3.2656181    1.5146428    0.0000000  0.00    0.1354167    0.3780243   -0.0000000
 C   -4.4215288   -0.2433167    0.0000000  0.00    0.5580276    0.3466129    0.0000000
 H   -4.4162395   -1.3133034    0.0000000  0.00   -0.0895757   -0.3697524   -0.0000000
 H   -5.3518578    0.2852544    0.0000000  0.00   -0.3503977    0.1010184    0.0000000
 H    1.7552996    0.2811723   -2.7374694  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -326.9110681522
 C   -1.9166583   -0.2529756    0.0004171  0.00   -0.7228351    0.4156525   -0.0008853
 H   -1.9048899   -1.3397549    0.0011280  0.00   -0.0021242   -0.1425368    0.0001679
 C   -0.7366723    0.4331085    0.0008945  0.00    0.9640694   -0.5477344    0.0015840
 H   -0.7264464    1.5189579    0.0001944  0.00   -0.0008861    0.1197981   -0.0000127
 C    0.5749250   -0.2676930    0.0023808  0.00   -1.0035515    0.5795116    0.0001535
 H    0.5439344   -1.3542822    0.0030605  0.00   -0.0018539   -0.1351974    0.0005369
 C    1.7863591    0.3740236    0.0029172  0.00    1.2328748   -0.7050391   -0.0118307
 H    1.8733192    1.4567784   -0.0011140  0.00   -0.0273379    0.1093981    0.0039094
 C    3.0414293   -0.4235985   -0.0002645  0.00   -1.0553439    0.7454691    0.0052301
 H    2.9509413   -1.5056651   -0.0007260  0.00    0.0353280   -0.1248949    0.0005633
 N    4.2630876    0.0780727   -0.0025885  0.00   -0.1875479   -0.0410913    0.0000876
 H    5.0816832   -0.5275056   -0.0047161  0.00    0.0109793    0.0271049   -0.0001765
 H    4.4138341    1.0850923   -0.0023036  0.00    0.0588927    0.0211016   -0.0000011
 C   -3.2544577    0.3964111   -0.0010463  0.00    0.7075603   -0.4095895    0.0007044
 H   -3.2808023    1.4820327   -0.0017678  0.00    0.0087138    0.1213927   -0.0000631
 C   -4.3998173   -0.3167006   -0.0014780  0.00    0.1291690    0.0765190    0.0000528
 H   -4.3822693   -1.4021902   -0.0007619  0.00   -0.0454897   -0.1066755    0.0000388
 H   -5.3613865    0.1859223   -0.0025522  0.00   -0.1009829   -0.0029735   -0.0000607
 H    1.7695199    0.3478004   -2.7346161  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -326.9201993166
 C   -1.8840363   -0.2434524    0.0003948  0.00    0.0743042   -0.1657950    0.0000386
 H   -1.8906728   -1.3396730    0.0010601  0.00    0.0578809   -0.0073067    0.0001210
 C   -0.6923612    0.4271589    0.0009543  0.00    0.2187892    0.0050133    0.0005306
 H   -0.6631729    1.5201128    0.0003432  0.00   -0.0648033    0.0131586   -0.0000067
 C    0.5348276   -0.2625076    0.0023765  0.00   -0.2148513    0.0224263    0.0017184
 H    0.4815858   -1.3568665    0.0030031  0.00    0.0584548   -0.0122155    0.0007128
 C    1.7622295    0.3569786    0.0029972  0.00    0.4330135   -0.1581189   -0.0119038
 H    1.8631984    1.4446721   -0.0019255  0.00   -0.0715399    0.0257944    0.0054361
 C    2.9347376   -0.4220263   -0.0002235  0.00   -0.3325041    0.0947834    0.0040156
 H    2.8423924   -1.5115864   -0.0008026  0.00    0.0621072   -0.0049991    0.0008578
 N    4.1534177    0.0767468   -0.0026242  0.00    0.2072740    0.0051156   -0.0009110
 H    4.9745527   -0.5248736   -0.0049681  0.00   -0.0057137    0.0222686   -0.0001528
 H    4.3151975    1.0834114   -0.0022259  0.00    0.0183089   -0.0160405    0.0000597
 C   -3.1390725    0.3941340   -0.0010167  0.00   -0.2128701    0.1733771   -0.0003509
 H   -3.1464785    1.4876147   -0.0016830  0.00   -0.0578746    0.0118015   -0.0000554
 C   -4.2935705   -0.3062222   -0.0015262  0.00   -0.1658050    0.0055135   -0.0001237
 H   -4.3044900   -1.3980825   -0.0008673  0.00    0.0142627   -0.0122453    0.0000241
 H   -5.2612809    0.1953560   -0.0026145  0.00   -0.0188469   -0.0019105   -0.0000082
 H    1.7457435    0.3344515   -2.7345712  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -326.9212158590
 C   -1.9016283   -0.2400716    0.0002357  0.00   -0.0590101    0.0066357   -0.0000731
 H   -1.8964356   -1.3385409    0.0046323  0.00    0.0289422    0.0250684   -0.0017943
 C   -0.6945214    0.4302369   -0.0022037  0.00    0.0888651   -0.0241556   -0.0014650
 H   -0.6752442    1.5258641   -0.0011992  0.00   -0.0463509   -0.0199827   -0.0011775
 C    0.5487662   -0.2507807   -0.0059310  0.00   -0.1741964    0.0265491    0.0012376
 H    0.5018220   -1.3477807   -0.0122355  0.00    0.0438575    0.0180607    0.0010424
 C    1.7939957    0.3603110   -0.0022178  0.00    0.1284904   -0.0874919    0.0067296
 H    1.8895356    1.4511474    0.0075353  0.00   -0.0492777   -0.0150829   -0.0027445
 C    2.9642365   -0.4148884   -0.0035271  0.00   -0.0524450   -0.0227312   -0.0020427
 H    2.9021110   -1.5085001   -0.0140457  0.00   -0.0460029    0.0247458   -0.0004858
 N    4.1990225    0.0647793    0.0072332  0.00    0.0421057    0.0722360    0.0003112
 H    5.0112940   -0.5509478    0.0030435  0.00   -0.0466407    0.0272356    0.0016951
 H    4.3818968    1.0692409    0.0200886  0.00    0.0063769   -0.0415228   -0.0024055
 C   -3.1914018    0.3905728   -0.0025449  0.00    0.0858530    0.0180524    0.0032460
 H   -3.2144501    1.4862799   -0.0123513  0.00   -0.0232694   -0.0286136    0.0000432
 C   -4.3508545   -0.3141637    0.0064199  0.00    0.0340265    0.0039005   -0.0019442
 H   -4.3546059   -1.4084824    0.0188934  0.00    0.0039677    0.0264714   -0.0022183
 H   -5.3234150    0.1837030    0.0015351  0.00    0.0343824   -0.0089184    0.0020747
 H    1.7851349    0.3602202   -2.7399142  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -326.9214974684
 C   -1.8979506   -0.2443479    0.0002636  0.00   -0.0473384    0.0036940   -0.0002909
 H   -1.8923816   -1.3414937    0.0024386  0.00    0.0101837    0.0086130   -0.0008664
 C   -0.6926467    0.4225966   -0.0010864  0.00    0.0616084   -0.0014432   -0.0007920
 H   -0.6786160    1.5173008   -0.0006645  0.00   -0.0220342   -0.0064358   -0.0006911
 C    0.5423634   -0.2620006   -0.0030582  0.00   -0.0677969    0.0090733    0.0007413
 H    0.5012567   -1.3582579   -0.0055287  0.00    0.0196275    0.0033368   -0.0000587
 C    1.7871574    0.3494531   -0.0016780  0.00    0.0552790   -0.0185533    0.0047492
 H    1.8670118    1.4407982    0.0032023  0.00   -0.0222253   -0.0016641   -0.0018168
 C    2.9586717   -0.4153547   -0.0016955  0.00   -0.0249944   -0.0011803   -0.0013984
 H    2.8897526   -1.5074425   -0.0065397  0.00    0.0067723    0.0048417   -0.0002275
 N    4.1887634    0.0789405    0.0038324  0.00    0.0082891    0.0138114   -0.0001275
 H    5.0061874   -0.5265785    0.0023460  0.00   -0.0130952   -0.0013437    0.0006365
 H    4.3619655    1.0835320    0.0096075  0.00    0.0003352   -0.0094444   -0.0007630
 C   -3.1777000    0.3960970   -0.0010308  0.00    0.0306989   -0.0001212    0.0014252
 H   -3.1997678    1.4904665   -0.0055122  0.00   -0.0089709   -0.0094618    0.0000363
 C   -4.3378762   -0.3047081    0.0030636  0.00    0.0075976    0.0037479   -0.0005586
 H   -4.3435285   -1.3978259    0.0084547  0.00   -0.0013666    0.0078979   -0.0005941
 H   -5.3068050    0.1968391    0.0011650  0.00    0.0070198   -0.0048498    0.0006185
 H    1.7762067    0.3385047   -2.7393450  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -326.9215273839
 C   -1.8982957   -0.2446359   -0.0000388  0.00   -0.0115138   -0.0010650   -0.0002975
 H   -1.8915957   -1.3411860    0.0008243  0.00    0.0032490   -0.0014908   -0.0000522
 C   -0.6920574    0.4210909   -0.0007765  0.00    0.0209950    0.0034866   -0.0004820
 H   -0.6822605    1.5154342   -0.0009227  0.00   -0.0078317    0.0007642    0.0000370
 C    0.5401648   -0.2640430   -0.0015092  0.00   -0.0095044   -0.0058511    0.0002369
 H    0.5029326   -1.3602427   -0.0024265  0.00    0.0053496   -0.0000990   -0.0002264
 C    1.7860339    0.3466809   -0.0007451  0.00    0.0142339    0.0025560    0.0015229
 H    1.8583500    1.4385051    0.0014412  0.00   -0.0047954   -0.0010447   -0.0005811
 C    2.9581405   -0.4147413   -0.0008721  0.00   -0.0056151   -0.0062627   -0.0005092
 H    2.8940982   -1.5068407   -0.0034969  0.00   -0.0013516    0.0001697    0.0000872
 N    4.1875794    0.0816923    0.0020073  0.00   -0.0022599    0.0098585   -0.0000847
 H    5.0044580   -0.5238286    0.0013662  0.00   -0.0030681   -0.0020736    0.0001374
 H    4.3593147    1.0861011    0.0047611  0.00    0.0035127   -0.0015637   -0.0000742
 C   -3.1750341    0.3970297   -0.0004195  0.00    0.0031688    0.0010221    0.0002147
 H   -3.1983267    1.4907723   -0.0024847  0.00   -0.0036123    0.0013628    0.0000873
 C   -4.3352490   -0.3031632    0.0016663  0.00   -0.0017162    0.0008596   -0.0000409
 H   -4.3417153   -1.3958114    0.0040055  0.00   -0.0000317    0.0000129   -0.0000667
 H   -5.3037925    0.1981090    0.0011536  0.00    0.0003813   -0.0001088    0.0001042
 H    1.7740373    0.3311762   -2.7383857  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -326.9215296337
 C   -1.8984793   -0.2447525   -0.0002853  0.00    0.0002915   -0.0001786   -0.0000315
 H   -1.8910724   -1.3413794   -0.0000313  0.00    0.0002873   -0.0001595    0.0003301
 C   -0.6915907    0.4207811   -0.0008144  0.00    0.0032082    0.0002475   -0.0007763
 H   -0.6839221    1.5151816   -0.0009098  0.00   -0.0014371   -0.0001451    0.0002503
 C    0.5402784   -0.2644501   -0.0014041  0.00    0.0003776   -0.0037343    0.0001457
 H    0.5048862   -1.3607255   -0.0022985  0.00   -0.0000314    0.0009067    0.0001098
 C    1.7862290    0.3466001   -0.0006266  0.00   -0.0003894    0.0066413    0.0005669
 H    1.8569446    1.4384830    0.0006460  0.00   -0.0010998   -0.0006749    0.0001326
 C    2.9578936   -0.4144506   -0.0004974  0.00    0.0021581   -0.0076308   -0.0010059
 H    2.8938815   -1.5065552   -0.0023088  0.00   -0.0009142    0.0004383   -0.0000215
 N    4.1874737    0.0819324    0.0017073  0.00   -0.0036190    0.0053964    0.0002965
 H    5.0036536   -0.5243988    0.0014947  0.00   -0.0000320   -0.0016694   -0.0000488
 H    4.3600317    1.0861273    0.0035002  0.00    0.0025239    0.0002469    0.0002355
 C   -3.1750045    0.3971758   -0.0001490  0.00   -0.0003016    0.0005527   -0.0004130
 H   -3.1991392    1.4909698   -0.0014455  0.00   -0.0007843    0.0001710   -0.0000164
 C   -4.3353364   -0.3029242    0.0015186  0.00   -0.0006459   -0.0000261    0.0001972
 H   -4.3419349   -1.3955535    0.0029863  0.00    0.0000278   -0.0001904    0.0001591
 H   -5.3038192    0.1983683    0.0015509  0.00   -0.0000225    0.0003422   -0.0001002
 H    1.7744421    0.3294922   -2.7382585  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -326.9215292587
 C   -1.8984277   -0.2448457   -0.0000807  0.00   -0.0011697    0.0001323   -0.0013498
 H   -1.8909643   -1.3414707    0.0013352  0.00   -0.0001042    0.0006440   -0.0002255
 C   -0.6914906    0.4206677   -0.0010107  0.00    0.0008993   -0.0005354    0.0005733
 H   -0.6841755    1.5150514   -0.0018435  0.00   -0.0003658   -0.0000447    0.0005303
 C    0.5403451   -0.2645000   -0.0010589  0.00   -0.0018124   -0.0018824    0.0003046
 H    0.5051633   -1.3607242   -0.0018943  0.00   -0.0001699    0.0001094   -0.0003274
 C    1.7861739    0.3468260    0.0002189  0.00    0.0027538    0.0031317   -0.0018759
 H    1.8567563    1.4386724    0.0028008  0.00   -0.0007747    0.0003829   -0.0006512
 C    2.9578410   -0.4144473   -0.0013155  0.00   -0.0011203   -0.0030575    0.0026911
 H    2.8935549   -1.5065061   -0.0053205  0.00   -0.0003875   -0.0005380    0.0010604
 N    4.1874465    0.0819030    0.0017523  0.00   -0.0011012    0.0039158   -0.0013759
 H    5.0034817   -0.5246793    0.0001037  0.00    0.0001564   -0.0017187    0.0004693
 H    4.3604660    1.0860318    0.0057186  0.00    0.0016091    0.0005988   -0.0007492
 C   -3.1749924    0.3971535   -0.0009296  0.00    0.0008204   -0.0008231    0.0016484
 H   -3.1992060    1.4909420   -0.0039514  0.00   -0.0003353   -0.0003038    0.0007553
 C   -4.3353992   -0.3028363    0.0018673  0.00    0.0002972    0.0000734   -0.0010786
 H   -4.3421042   -1.3954641    0.0052085  0.00   -0.0001294    0.0005988   -0.0007882
 H   -5.3038014    0.1986168    0.0010096  0.00    0.0005337   -0.0001517    0.0004062
 H    1.7735491    0.3332290   -2.7374290  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0031373217
 C   -1.8984293   -0.2449024   -0.0001913  0.00   -0.2342403   -0.0240353   -0.0086611
 H   -1.8908993   -1.3415416    0.0002663  0.00    0.0077670   -0.0150838   -0.0104468
 C   -0.6914260    0.4206151   -0.0007699  0.00    0.2134757    0.0100275    0.0122916
 H   -0.6844028    1.5150084   -0.0009660  0.00   -0.0168519   -0.0007182   -0.0214737
 C    0.5404236   -0.2645093   -0.0012259  0.00   -0.2437144    0.0285251    0.0021804
 H    0.5054555   -1.3607277   -0.0019730  0.00    0.0001951   -0.0057054   -0.0050331
 C    1.7861976    0.3470123   -0.0004787  0.00    0.2229465   -0.0546305    0.0065832
 H    1.8567237    1.4388471    0.0007998  0.00   -0.0069856   -0.0000162   -0.0075822
 C    2.9577825   -0.4144134   -0.0005983  0.00   -0.2895295    0.0395718   -0.0020059
 H    2.8932245   -1.5064701   -0.0025987  0.00   -0.0057304    0.0058807   -0.0025441
 N    4.1874572    0.0818259    0.0015833  0.00    0.2305289    0.0597223    0.0064491
 H    5.0033260   -0.5250222    0.0011691  0.00   -0.0344691    0.0277045   -0.0038412
 H    4.3608589    1.0859103    0.0036029  0.00   -0.0157008   -0.0276923   -0.0062955
 C   -3.1750171    0.3971296   -0.0002353  0.00    0.1601063    0.0831820    0.0311689
 H   -3.1993186    1.4909378   -0.0016323  0.00   -0.0342023    0.0062186   -0.0719308
 C   -4.3354706   -0.3028048    0.0014043  0.00   -0.0601807   -0.0395463    0.0083056
 H   -4.3422434   -1.3954378    0.0030154  0.00    0.0118858   -0.0162342   -0.0142648
 H   -5.3038284    0.1987351    0.0012821  0.00    0.0176150    0.0332637   -0.0451227
 H    1.7741757    0.3299685   -2.7381099  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0031446554
 C   -1.8984544   -0.2449246   -0.0000278  0.00   -0.2334916   -0.0238216   -0.0087380
 H   -1.8909528   -1.3415662    0.0006393  0.00    0.0077428   -0.0150918   -0.0105815
 C   -0.6914142    0.4205735   -0.0004314  0.00    0.2124501    0.0102619    0.0124900
 H   -0.6844054    1.5149563   -0.0005875  0.00   -0.0168617   -0.0007161   -0.0216573
 C    0.5403761   -0.2645202   -0.0007456  0.00   -0.2423664    0.0289580    0.0022606
 H    0.5053846   -1.3607292   -0.0013576  0.00    0.0003931   -0.0058026   -0.0052468
 C    1.7861872    0.3470679   -0.0000348  0.00    0.2224111   -0.0558837    0.0059946
 H    1.8567111    1.4389018    0.0013383  0.00   -0.0069892    0.0001343   -0.0077204
 C    2.9577460   -0.4143996   -0.0006405  0.00   -0.2890803    0.0407028   -0.0017892
 H    2.8931068   -1.5064496   -0.0025988  0.00   -0.0055386    0.0057156   -0.0026411
 N    4.1874913    0.0818066    0.0010201  0.00    0.2295429    0.0589105    0.0068157
 H    5.0033077   -0.5251228    0.0002555  0.00   -0.0341820    0.0275676   -0.0037134
 H    4.3610361    1.0858689    0.0029366  0.00   -0.0158972   -0.0274058   -0.0062553
 C   -3.1749826    0.3971513   -0.0005085  0.00    0.1594336    0.0833242    0.0314089
 H   -3.1993164    1.4909506   -0.0021993  0.00   -0.0341112    0.0058589   -0.0718499
 C   -4.3354414   -0.3027946    0.0010445  0.00   -0.0599549   -0.0389529    0.0081624
 H   -4.3421663   -1.3954385    0.0029276  0.00    0.0117465   -0.0162272   -0.0143154
 H   -5.3037563    0.1988183    0.0004876  0.00    0.0176493    0.0329637   -0.0449228
 H    1.7736118    0.3305747   -2.7376669  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -326.9957396514
 C   -1.8928810   -0.2412785    0.0517412  0.00   -0.7928758   -0.0659097   -0.0142738
 H   -1.9413165   -1.3247460    0.1817109  0.00    0.1809300   -0.1009170   -0.0239557
 C   -0.7146795    0.4269741    0.0507501  0.00    1.0533803    0.2738534    0.1002947
 H   -0.5799410    1.5076734    0.0323973  0.00   -0.3949210    0.1408911   -0.0797194
 C    0.5210121   -0.2498650    0.0771433  0.00   -0.4111082   -0.0569861    0.0799973
 H    0.3674202   -1.3325827    0.0707254  0.00    0.3531344   -0.1178914   -0.0560593
 C    1.7718256    0.3508177    0.1115677  0.00    0.8768654   -0.4793100   -0.1441450
 H    1.9376601    1.4276740    0.2361622  0.00   -0.2230240   -0.0054834   -0.0431495
 C    2.9610241   -0.4251236   -0.0712729  0.00   -0.5793956    0.2411154    0.1587170
 H    2.8779026   -1.5032215   -0.2282001  0.00    0.0131718   -0.0074679   -0.0118175
 N    4.1963787    0.0713794   -0.0655575  0.00    0.1184226    0.1735064    0.0195164
 H    5.0401471   -0.4847073   -0.2194170  0.00   -0.1904553   -0.0097510    0.0125947
 H    4.3501275    1.0705978    0.0927113  0.00   -0.0157285   -0.0930718   -0.0332088
 C   -3.1613052    0.3890637   -0.1122907  0.00    0.2082855    0.0641395    0.0662211
 H   -3.1313264    1.4558539   -0.3233629  0.00   -0.1886834    0.1134241   -0.0802039
 C   -4.3217912   -0.3034704   -0.0194443  0.00   -0.0698998    0.0316903   -0.0630186
 H   -4.3200574   -1.3766075    0.2058856  0.00   -0.0286175    0.0467543   -0.0261494
 H   -5.2771696    0.1983328   -0.1885707  0.00    0.0077973   -0.0304703   -0.0003860
 H    1.6377929    0.6968322   -2.6008794  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0031545160
 C   -1.8986028   -0.2448681   -0.0000397  0.00   -0.2341156   -0.0237072   -0.0085415
 H   -1.8912679   -1.3415239    0.0001839  0.00    0.0083267   -0.0131160   -0.0103164
 C   -0.6914975    0.4205972   -0.0000918  0.00    0.2114442    0.0106185    0.0123002
 H   -0.6840979    1.5149569    0.0002352  0.00   -0.0174501   -0.0005509   -0.0219448
 C    0.5401316   -0.2644835   -0.0006743  0.00   -0.2435315    0.0264478    0.0025310
 H    0.5048051   -1.3607213   -0.0013826  0.00    0.0014316   -0.0058342   -0.0051742
 C    1.7862159    0.3469411   -0.0001799  0.00    0.2204638   -0.0526015    0.0075225
 H    1.8569003    1.4388086    0.0008233  0.00   -0.0073200    0.0011359   -0.0075905
 C    2.9576888   -0.4143681   -0.0003249  0.00   -0.2798559    0.0389683   -0.0027125
 H    2.8931331   -1.5064451   -0.0013815  0.00   -0.0059364    0.0044116   -0.0030095
 N    4.1876632    0.0817842    0.0007238  0.00    0.2246602    0.0587056    0.0065655
 H    5.0035077   -0.5250528    0.0004464  0.00   -0.0346235    0.0266831   -0.0040858
 H    4.3610724    1.0858470    0.0015796  0.00   -0.0160027   -0.0269091   -0.0058915
 C   -3.1749000    0.3972632   -0.0003895  0.00    0.1572627    0.0806385    0.0308185
 H   -3.1992242    1.4910177   -0.0018127  0.00   -0.0342679    0.0050924   -0.0720926
 C   -4.3352683   -0.3028850    0.0007710  0.00   -0.0583478   -0.0376673    0.0080093
 H   -4.3417196   -1.3955747    0.0020909  0.00    0.0113539   -0.0129413   -0.0136293
 H   -5.3035852    0.1986763    0.0002323  0.00    0.0194375    0.0313682   -0.0452747
 H    1.7736338    0.3295599   -2.7378065  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0033335747
 C   -1.8987970   -0.2442215    0.0055456  0.00   -0.2406305   -0.0224347   -0.0136532
 H   -1.8937788   -1.3401062    0.0384878  0.00    0.0138441   -0.0189365   -0.0102529
 C   -0.6917611    0.4201138   -0.0049842  0.00    0.2424967    0.0084764    0.0274937
 H   -0.6786576    1.5140937   -0.0250468  0.00   -0.0302931    0.0005654   -0.0182309
 C    0.5394955   -0.2666673    0.0083597  0.00   -0.2639888    0.0152343   -0.0027710
 H    0.5002094   -1.3627220    0.0056735  0.00    0.0082844   -0.0056159   -0.0170406
 C    1.7855704    0.3427020    0.0242253  0.00    0.2366627   -0.0434389   -0.0134028
 H    1.8566111    1.4337551    0.0677361  0.00   -0.0084502    0.0008383   -0.0178272
 C    2.9587999   -0.4146639   -0.0237061  0.00   -0.2853842    0.0301260    0.0334194
 H    2.8991890   -1.5048538   -0.0879809  0.00   -0.0112397    0.0006405    0.0027766
 N    4.1870930    0.0849906    0.0022460  0.00    0.2130085    0.0715502    0.0018671
 H    5.0063690   -0.5151323   -0.0404980  0.00   -0.0297146    0.0185795   -0.0025927
 H    4.3536543    1.0880197    0.0655741  0.00   -0.0076771   -0.0203109   -0.0116045
 C   -3.1745225    0.3979612   -0.0239995  0.00    0.1614289    0.0864390    0.0285927
 H   -3.1968837    1.4901102   -0.0789208  0.00   -0.0431021    0.0108312   -0.0677700
 C   -4.3346144   -0.3015498    0.0119714  0.00   -0.0623312   -0.0347900    0.0031022
 H   -4.3409379   -1.3924223    0.0703768  0.00    0.0129321   -0.0217649   -0.0149449
 H   -5.3031284    0.1985797   -0.0157752  0.00    0.0151650    0.0358206   -0.0414182
 H    1.7485229    0.4382558   -2.7115665  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0035174190
 C   -1.9003498   -0.2424665    0.0032275  0.00   -0.1846529   -0.0144317   -0.0217999
 H   -1.8925681   -1.3386289    0.0525324  0.00    0.0039866   -0.0067700   -0.0101921
 C   -0.6900213    0.4209960   -0.0122340  0.00    0.1546836    0.0008040    0.0186762
 H   -0.6814176    1.5149861   -0.0296128  0.00   -0.0148156    0.0031056   -0.0164067
 C    0.5379876   -0.2672117   -0.0081498  0.00   -0.1911326    0.0113974   -0.0023520
 H    0.5021674   -1.3628316   -0.0454631  0.00   -0.0052432   -0.0044386   -0.0031012
 C    1.7866142    0.3398215    0.0320308  0.00    0.1661542   -0.0133693   -0.0193534
 H    1.8555505    1.4289544    0.1097291  0.00   -0.0048067    0.0036637   -0.0151009
 C    2.9578553   -0.4134092   -0.0356731  0.00   -0.1897324    0.0168197    0.0310737
 H    2.8992248   -1.5001632   -0.1431298  0.00   -0.0083741    0.0013870    0.0032130
 N    4.1882817    0.0852912    0.0193850  0.00    0.1470546    0.0527175    0.0035390
 H    5.0073565   -0.5116065   -0.0478327  0.00   -0.0232511    0.0114233    0.0009580
 H    4.3535893    1.0840710    0.1286060  0.00   -0.0067511   -0.0153185   -0.0161464
 C   -3.1758486    0.3988592   -0.0416225  0.00    0.1407248    0.0762800    0.0248302
 H   -3.2050790    1.4876748   -0.1482490  0.00   -0.0342568    0.0039788   -0.0574214
 C   -4.3334117   -0.3029190    0.0380213  0.00   -0.0514059   -0.0360867   -0.0021059
 H   -4.3330867   -1.3905154    0.1504085  0.00    0.0078197   -0.0091077   -0.0168820
 H   -5.3035787    0.1932531   -0.0056100  0.00    0.0128327    0.0307061   -0.0376074
 H    1.7587172    0.5258961   -2.6992066  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0037525273
 C   -1.9036981   -0.2368017    0.0063834  0.00   -0.0931784   -0.0027293   -0.0234879
 H   -1.8921691   -1.3338986    0.0660927  0.00   -0.0045341    0.0171359   -0.0129920
 C   -0.6894159    0.4274609    0.0057207  0.00    0.0529851   -0.0021901    0.0168956
 H   -0.6851710    1.5216939    0.0047270  0.00   -0.0024022    0.0009946   -0.0289207
 C    0.5345167   -0.2615269    0.0036643  0.00   -0.0881055    0.0213827    0.0174619
 H    0.4982949   -1.3566146   -0.0546822  0.00   -0.0075935    0.0015899   -0.0005370
 C    1.7895287    0.3414608    0.0562271  0.00    0.0890910   -0.0136267   -0.0316887
 H    1.8654345    1.4285466    0.1544200  0.00   -0.0149100    0.0035790   -0.0161872
 C    2.9547024   -0.4136222   -0.0409201  0.00   -0.0958141    0.0180211    0.0329537
 H    2.8870735   -1.4981662   -0.1637900  0.00    0.0017898   -0.0010791   -0.0022703
 N    4.1927160    0.0782887    0.0007887  0.00    0.0510696    0.0218161    0.0036254
 H    5.0062867   -0.5205904   -0.0960987  0.00   -0.0122361   -0.0033940    0.0038447
 H    4.3653125    1.0736407    0.1218785  0.00   -0.0063975    0.0009044   -0.0149819
 C   -3.1784094    0.3998115   -0.0673793  0.00    0.0817371    0.0461673    0.0224610
 H   -3.2213844    1.4832909   -0.2232126  0.00   -0.0196084   -0.0107412   -0.0407259
 C   -4.3299146   -0.3125967    0.0376110  0.00   -0.0228228   -0.0164930   -0.0145384
 H   -4.3141741   -1.3961349    0.1957966  0.00   -0.0050703    0.0229132   -0.0203530
 H   -5.3032371    0.1754302   -0.0316677  0.00    0.0129585    0.0113489   -0.0305115
 H    1.7410603    0.6058116   -2.6682599  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0040759713
 C   -1.9062429   -0.2295861    0.0245768  0.00   -0.0018356    0.0073527   -0.0049595
 H   -1.8951679   -1.3262801    0.0880356  0.00   -0.0046161    0.0135890   -0.0180324
 C   -0.6892087    0.4338977    0.0506511  0.00   -0.0022960    0.0156973    0.0334619
 H   -0.6831271    1.5278856    0.0557823  0.00   -0.0055587    0.0046593   -0.0484602
 C    0.5304030   -0.2558305    0.0638130  0.00   -0.0037223    0.0007496    0.0316864
 H    0.4892136   -1.3527759    0.0367625  0.00    0.0007872    0.0126562   -0.0191350
 C    1.7921366    0.3436124    0.0889467  0.00    0.0143501    0.0010138   -0.0398173
 H    1.8751076    1.4328177    0.1615485  0.00   -0.0226412   -0.0049074   -0.0226327
 C    2.9491307   -0.4155759   -0.0334461  0.00   -0.0041204   -0.0182697    0.0358945
 H    2.8760924   -1.5045598   -0.1150297  0.00   -0.0027671    0.0117720   -0.0061169
 N    4.1926562    0.0713585   -0.0673090  0.00   -0.0157861    0.0156173    0.0068575
 H    4.9981839   -0.5358835   -0.1789755  0.00   -0.0159014    0.0012219    0.0040646
 H    4.3713458    1.0710384   -0.0039188  0.00    0.0002902   -0.0046857   -0.0074162
 C   -3.1759270    0.4031973   -0.0826671  0.00   -0.0008542    0.0112469    0.0175581
 H   -3.2285910    1.4856412   -0.2377205  0.00   -0.0082972   -0.0002146   -0.0371028
 C   -4.3230143   -0.3246619   -0.0181769  0.00   -0.0011490    0.0235068   -0.0260310
 H   -4.2983238   -1.4093001    0.1278652  0.00   -0.0079819    0.0193307   -0.0133166
 H   -5.2972504    0.1554180   -0.1155451  0.00   -0.0005021    0.0085001   -0.0294388
 H    1.6708866    0.6032140   -2.6337295  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0042366705
 C   -1.9073361   -0.2321839    0.0458394  0.00    0.0220209    0.0197671    0.0019962
 H   -1.9032651   -1.3267345    0.1325488  0.00   -0.0090020    0.0045189   -0.0256614
 C   -0.6859015    0.4244203    0.0719648  0.00   -0.0384435    0.0094015    0.0434742
 H   -0.6763405    1.5179432    0.0595194  0.00    0.0006800    0.0110614   -0.0448660
 C    0.5295556   -0.2692763    0.0965770  0.00    0.0247949   -0.0166469    0.0071208
 H    0.4910113   -1.3662913    0.0731489  0.00   -0.0109544    0.0116407   -0.0131277
 C    1.7902476    0.3326260    0.1092223  0.00   -0.0305461    0.0279151   -0.0449346
 H    1.8587930    1.4225732    0.1820866  0.00    0.0021891   -0.0004564   -0.0223673
 C    2.9489578   -0.4146448   -0.0421484  0.00    0.0464879   -0.0239720    0.0434934
 H    2.8885936   -1.5036704   -0.1325407  0.00   -0.0136808    0.0124305   -0.0002092
 N    4.1872678    0.0857688   -0.0974850  0.00   -0.0317421    0.0103387    0.0024012
 H    4.9947865   -0.5133770   -0.2335223  0.00   -0.0091854    0.0034862    0.0033322
 H    4.3561529    1.0873816   -0.0372435  0.00    0.0028175   -0.0077885   -0.0042710
 C   -3.1690393    0.4078247   -0.0913400  0.00   -0.0327395   -0.0086344    0.0190951
 H   -3.2168998    1.4879997   -0.2557409  0.00    0.0032985    0.0176874   -0.0417734
 C   -4.3218736   -0.3134679   -0.0516525  0.00    0.0032726    0.0296384   -0.0343299
 H   -4.3081146   -1.3963498    0.1014187  0.00   -0.0040519    0.0027036   -0.0084284
 H   -5.2897382    0.1696840   -0.1849729  0.00   -0.0077783    0.0182614   -0.0259504
 H    1.6095426    0.6540056   -2.6035477  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0043810137
 C   -1.9086294   -0.2376496    0.0613302  0.00    0.0247187    0.0245115    0.0127166
 H   -1.9121491   -1.3313311    0.1536838  0.00   -0.0078589   -0.0014704   -0.0296923
 C   -0.6847074    0.4136727    0.0917569  0.00   -0.0278762    0.0012846    0.0430405
 H   -0.6710816    1.5069046    0.0727426  0.00   -0.0011487    0.0142188   -0.0415361
 C    0.5302063   -0.2814898    0.1173084  0.00    0.0234691   -0.0070822   -0.0186750
 H    0.4934666   -1.3782661    0.0931575  0.00   -0.0123016    0.0083394   -0.0022511
 C    1.7884702    0.3259134    0.1133821  0.00   -0.0539089    0.0251595   -0.0348974
 H    1.8469468    1.4168206    0.1764664  0.00    0.0127990    0.0028220   -0.0196759
 C    2.9504472   -0.4134686   -0.0445440  0.00    0.0555990   -0.0139787    0.0396856
 H    2.8994460   -1.5032276   -0.1272419  0.00   -0.0159078    0.0076114    0.0020831
 N    4.1831719    0.0984319   -0.1170290  0.00   -0.0273285    0.0020230   -0.0019441
 H    4.9936121   -0.4944288   -0.2618389  0.00   -0.0048836    0.0035513    0.0038278
 H    4.3434692    1.1020753   -0.0709218  0.00    0.0015384   -0.0058814   -0.0014003
 C   -3.1634506    0.4110714   -0.0898605  0.00   -0.0401075   -0.0023611    0.0156038
 H   -3.2026053    1.4922762   -0.2471318  0.00    0.0089332    0.0235895   -0.0450423
 C   -4.3223900   -0.3007125   -0.0805576  0.00   -0.0002836    0.0207959   -0.0394332
 H   -4.3208597   -1.3845748    0.0637835  0.00   -0.0040868   -0.0026650   -0.0059839
 H   -5.2819333    0.1909729   -0.2381064  0.00   -0.0130587    0.0223571   -0.0223457
 H    1.5626756    0.6787131   -2.5920956  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0046178981
 C   -1.9109689   -0.2506766    0.0875757  0.00   -0.0010961    0.0223815    0.0344700
 H   -1.9284305   -1.3448401    0.1763283  0.00   -0.0008271    0.0043577   -0.0324511
 C   -0.6842920    0.3932171    0.1372074  0.00    0.0019262    0.0053925    0.0259897
 H   -0.6645764    1.4865902    0.1175326  0.00   -0.0109214    0.0128786   -0.0356757
 C    0.5328941   -0.2999466    0.1535165  0.00    0.0045483    0.0201865   -0.0625056
 H    0.4985250   -1.3960859    0.1213144  0.00   -0.0014150    0.0014102    0.0183340
 C    1.7852289    0.3195753    0.1155953  0.00   -0.0394013   -0.0105920   -0.0007346
 H    1.8358720    1.4114656    0.1627171  0.00    0.0051263    0.0058932   -0.0175569
 C    2.9535434   -0.4102279   -0.0477110  0.00    0.0309240    0.0157959    0.0245113
 H    2.9127438   -1.5011821   -0.1099880  0.00   -0.0089464   -0.0003241    0.0013119
 N    4.1772672    0.1170769   -0.1524288  0.00   -0.0166200   -0.0174960   -0.0081062
 H    4.9906889   -0.4667259   -0.3157163  0.00   -0.0026811    0.0006747    0.0097673
 H    4.3262668    1.1229630   -0.1332870  0.00   -0.0055544    0.0022700    0.0016162
 C   -3.1546381    0.4143434   -0.0875581  0.00   -0.0200372    0.0254241   -0.0011632
 H   -3.1725425    1.4981997   -0.2361659  0.00    0.0095334    0.0108126   -0.0382893
 C   -4.3247627   -0.2763128   -0.1341653  0.00   -0.0014025   -0.0024316   -0.0464561
 H   -4.3470474   -1.3627043   -0.0036937  0.00   -0.0096247    0.0123447   -0.0068674
 H   -5.2652473    0.2365370   -0.3356081  0.00   -0.0134834    0.0169541   -0.0139739
 H    1.4631887    0.7686568   -2.5657618  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0046923154
 C   -1.9117478   -0.2548680    0.0985732  0.00   -0.0089891    0.0128793    0.0407752
 H   -1.9325115   -1.3494913    0.1850113  0.00   -0.0001493    0.0098527   -0.0305311
 C   -0.6849322    0.3875438    0.1561407  0.00    0.0205294    0.0088081    0.0118014
 H   -0.6652447    1.4811395    0.1322255  0.00   -0.0109340    0.0077498   -0.0289435
 C    0.5340825   -0.3040405    0.1681301  0.00   -0.0109590    0.0246124   -0.0750291
 H    0.5014760   -1.4003414    0.1350763  0.00   -0.0006999    0.0044494    0.0236348
 C    1.7843031    0.3182751    0.1166888  0.00   -0.0196703   -0.0141163    0.0141616
 H    1.8350203    1.4104269    0.1605918  0.00   -0.0013829    0.0029001   -0.0191180
 C    2.9545466   -0.4090525   -0.0501233  0.00   -0.0014980    0.0184774    0.0201679
 H    2.9155185   -1.5002133   -0.1071275  0.00   -0.0051611   -0.0033268    0.0012754
 N    4.1752224    0.1215677   -0.1662389  0.00   -0.0084996   -0.0160130   -0.0105018
 H    4.9884355   -0.4595688   -0.3388015  0.00    0.0019105   -0.0036428    0.0116770
 H    4.3209448    1.1278524   -0.1551166  0.00   -0.0060042    0.0082763    0.0023196
 C   -3.1519200    0.4144957   -0.0873990  0.00   -0.0092261    0.0328280   -0.0147404
 H   -3.1609687    1.4986797   -0.2371629  0.00    0.0042641    0.0076782   -0.0315393
 C   -4.3250815   -0.2692109   -0.1556585  0.00   -0.0060331   -0.0077612   -0.0421007
 H   -4.3560306   -1.3562666   -0.0277604  0.00   -0.0097141    0.0210152   -0.0084137
 H   -5.2587348    0.2509788   -0.3724640  0.00   -0.0072064    0.0125832   -0.0133256
 H    1.4115120    0.8427378   -2.5443309  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0047757465
 C   -1.9105522   -0.2530260    0.1091914  0.00   -0.0312085    0.0029227    0.0392279
 H   -1.9279219   -1.3483559    0.1959717  0.00   -0.0024882    0.0203883   -0.0225134
 C   -0.6855752    0.3926043    0.1733995  0.00    0.0050060    0.0258949   -0.0200486
 H   -0.6705980    1.4861947    0.1370103  0.00   -0.0048421    0.0038888   -0.0176291
 C    0.5346884   -0.2958932    0.1816320  0.00   -0.0214086    0.0072333   -0.0568014
 H    0.5030144   -1.3927423    0.1586951  0.00   -0.0019277    0.0078190    0.0177781
 C    1.7848285    0.3233027    0.1192264  0.00    0.0354893   -0.0074574    0.0176285
 H    1.8472906    1.4151294    0.1599991  0.00   -0.0216997    0.0025541   -0.0220513
 C    2.9523366   -0.4097193   -0.0516245  0.00   -0.0299352    0.0028967    0.0157916
 H    2.9061825   -1.5012811   -0.1039816  0.00   -0.0003880    0.0018301    0.0016479
 N    4.1744701    0.1135979   -0.1798447  0.00   -0.0014921   -0.0030600   -0.0113144
 H    4.9835476   -0.4711810   -0.3610081  0.00   -0.0034161   -0.0041492    0.0150922
 H    4.3245220    1.1195785   -0.1756975  0.00   -0.0056775    0.0051446    0.0022284
 C   -3.1524164    0.4119613   -0.0930937  0.00    0.0115554    0.0233299   -0.0400874
 H   -3.1574711    1.4943223   -0.2621366  0.00   -0.0085709   -0.0051733   -0.0146424
 C   -4.3239293   -0.2752013   -0.1717838  0.00    0.0041900    0.0099104   -0.0219349
 H   -4.3554256   -1.3610834   -0.0292784  0.00   -0.0094215    0.0316739   -0.0140805
 H   -5.2563287    0.2436443   -0.4014533  0.00    0.0061501    0.0031897   -0.0174087
 H    1.3444344    0.9822864   -2.5012418  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0048114686
 C   -1.9100955   -0.2484416    0.1168225  0.00   -0.0229832   -0.0018166    0.0326208
 H   -1.9232813   -1.3434231    0.2082046  0.00   -0.0072772    0.0172403   -0.0165322
 C   -0.6861104    0.3995914    0.1784374  0.00   -0.0065933    0.0250508   -0.0460136
 H   -0.6739387    1.4925722    0.1258102  0.00    0.0022924    0.0061858   -0.0049222
 C    0.5334841   -0.2900210    0.1850708  0.00   -0.0104989   -0.0072007   -0.0278930
 H    0.5017451   -1.3873396    0.1745053  0.00   -0.0091240    0.0108371    0.0077364
 C    1.7852302    0.3242780    0.1202434  0.00    0.0471081    0.0100229    0.0085647
 H    1.8523149    1.4160620    0.1598012  0.00   -0.0252242    0.0004135   -0.0232052
 C    2.9508220   -0.4116226   -0.0535706  0.00   -0.0306607   -0.0123000    0.0144488
 H    2.9018604   -1.5032163   -0.1089710  0.00   -0.0016706    0.0086607    0.0056619
 N    4.1738082    0.1083870   -0.1836143  0.00   -0.0020640    0.0107393   -0.0114050
 H    4.9819894   -0.4773216   -0.3660575  0.00   -0.0092984   -0.0009466    0.0158065
 H    4.3245577    1.1145133   -0.1790560  0.00   -0.0022885   -0.0047222    0.0023240
 C   -3.1531808    0.4110846   -0.0956347  0.00    0.0160182    0.0096588   -0.0570965
 H   -3.1596271    1.4907208   -0.2791879  0.00   -0.0146151    0.0052162   -0.0063500
 C   -4.3204444   -0.2831386   -0.1783521  0.00   -0.0022158    0.0235638   -0.0000845
 H   -4.3485959   -1.3669328   -0.0230318  0.00   -0.0066275    0.0217696   -0.0179443
 H   -5.2548830    0.2292250   -0.4138375  0.00    0.0048981    0.0068898   -0.0247389
 H    1.2949395    1.0998319   -2.4591346  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0048272829
 C   -1.9113199   -0.2500550    0.1177057  0.00   -0.0066100    0.0143702    0.0264699
 H   -1.9254869   -1.3453334    0.1985389  0.00   -0.0118925    0.0138169   -0.0089815
 C   -0.6851518    0.3946974    0.1731357  0.00    0.0009601   -0.0059489   -0.0695334
 H   -0.6701256    1.4872573    0.1127444  0.00    0.0055324    0.0039435    0.0075821
 C    0.5324046   -0.3003833    0.1711776  0.00   -0.0202661    0.0019867    0.0032813
 H    0.5011542   -1.3977857    0.1668507  0.00   -0.0170389    0.0141525    0.0029245
 C    1.7832000    0.3155600    0.1110339  0.00    0.0129591    0.0217811   -0.0062084
 H    1.8354645    1.4082114    0.1445691  0.00    0.0017089    0.0031156   -0.0181253
 C    2.9544569   -0.4119052   -0.0525014  0.00   -0.0377217   -0.0060677    0.0099028
 H    2.9175227   -1.5033300   -0.1088532  0.00   -0.0091419   -0.0030045    0.0114107
 N    4.1724985    0.1199413   -0.1730716  0.00    0.0097193    0.0145727   -0.0098461
 H    4.9891493   -0.4580521   -0.3381687  0.00    0.0042628   -0.0092699    0.0083751
 H    4.3120435    1.1272952   -0.1693700  0.00    0.0022993    0.0068719    0.0039686
 C   -3.1525978    0.4152377   -0.0824858  0.00    0.0082919   -0.0053135   -0.0601888
 H   -3.1595439    1.4964520   -0.2497986  0.00   -0.0077638    0.0175796   -0.0100988
 C   -4.3193296   -0.2769928   -0.1784684  0.00   -0.0138808    0.0225893    0.0077922
 H   -4.3491913   -1.3619424   -0.0388992  0.00   -0.0022868    0.0095208   -0.0162003
 H   -5.2539678    0.2370816   -0.4060273  0.00    0.0007552    0.0140064   -0.0313276
 H    1.2527440    1.1833852   -2.4307284  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0048608702
 C   -1.9113639   -0.2517739    0.1263851  0.00   -0.0163973    0.0233618    0.0236744
 H   -1.9277800   -1.3474074    0.2022471  0.00   -0.0112314    0.0153281   -0.0050025
 C   -0.6840740    0.3912359    0.1862205  0.00   -0.0146382   -0.0027586   -0.0903565
 H   -0.6670540    1.4834911    0.1231933  0.00    0.0014528    0.0063158    0.0123663
 C    0.5330266   -0.3034248    0.1770774  0.00   -0.0221358    0.0123168    0.0265758
 H    0.5012738   -1.4004007    0.1795773  0.00   -0.0101800    0.0087806   -0.0030423
 C    1.7821138    0.3155658    0.1108016  0.00    0.0171678    0.0054869   -0.0097046
 H    1.8340889    1.4081863    0.1370859  0.00   -0.0037509    0.0060912   -0.0158522
 C    2.9536626   -0.4112856   -0.0522040  0.00   -0.0325847   -0.0002898    0.0021422
 H    2.9178964   -1.5030600   -0.1014597  0.00   -0.0068386   -0.0035348    0.0117335
 N    4.1701361    0.1223070   -0.1826353  0.00    0.0155826    0.0087307   -0.0072492
 H    4.9876807   -0.4553910   -0.3459300  0.00    0.0001309   -0.0074290    0.0092344
 H    4.3085898    1.1299355   -0.1860175  0.00   -0.0006834    0.0052430    0.0041715
 C   -3.1512111    0.4162361   -0.0802605  0.00    0.0196672   -0.0047291   -0.0679559
 H   -3.1551342    1.4982236   -0.2465625  0.00   -0.0067808    0.0083440   -0.0044483
 C   -4.3180090   -0.2737859   -0.1938426  0.00   -0.0076513    0.0219219    0.0112841
 H   -4.3510946   -1.3593993   -0.0574738  0.00   -0.0037547    0.0146888   -0.0174794
 H   -5.2482052    0.2432127   -0.4339166  0.00    0.0029113    0.0119248   -0.0294398
 H    1.1865931    1.2896735   -2.3774768  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0048819159
 C   -1.9122728   -0.2531518    0.1324357  0.00   -0.0141657    0.0256905    0.0191274
 H   -1.9323069   -1.3487968    0.2060935  0.00   -0.0078134    0.0120302   -0.0028271
 C   -0.6836292    0.3873610    0.1931252  0.00   -0.0126736    0.0024470   -0.0988483
 H   -0.6630110    1.4794375    0.1317633  0.00   -0.0069367    0.0113979    0.0113884
 C    0.5333046   -0.3069640    0.1776747  0.00   -0.0148383    0.0273949    0.0521899
 H    0.5003080   -1.4034361    0.1833455  0.00   -0.0014380    0.0022211   -0.0095494
 C    1.7814744    0.3155760    0.1120609  0.00    0.0015146   -0.0161490   -0.0187320
 H    1.8316081    1.4079724    0.1358313  0.00   -0.0060177    0.0093516   -0.0133787
 C    2.9530192   -0.4102126   -0.0524451  0.00   -0.0049996    0.0081557   -0.0044340
 H    2.9180834   -1.5020531   -0.1000736  0.00   -0.0057397   -0.0011872    0.0112392
 N    4.1692896    0.1246069   -0.1878942  0.00    0.0048427   -0.0039219   -0.0003108
 H    4.9875278   -0.4534078   -0.3478976  0.00   -0.0065041   -0.0027104    0.0095843
 H    4.3085514    1.1321551   -0.1891528  0.00   -0.0039920    0.0011279    0.0023739
 C   -3.1497288    0.4172993   -0.0794546  0.00    0.0106842    0.0062148   -0.0655486
 H   -3.1525557    1.4996049   -0.2462341  0.00   -0.0014366    0.0044311   -0.0033182
 C   -4.3172551   -0.2703332   -0.2015457  0.00   -0.0036591    0.0132871    0.0005729
 H   -4.3523612   -1.3563510   -0.0656387  0.00   -0.0071149    0.0194453   -0.0166032
 H   -5.2429611    0.2483548   -0.4556585  0.00    0.0009935    0.0113207   -0.0227337
 H    1.1185985    1.3994386   -2.3129952  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0048918689
 C   -1.9142720   -0.2530189    0.1408065  0.00   -0.0083722    0.0097479    0.0006375
 H   -1.9389166   -1.3483545    0.2221742  0.00   -0.0009400    0.0186548   -0.0052559
 C   -0.6842918    0.3850051    0.1934814  0.00    0.0137775    0.0104806   -0.0804958
 H   -0.6599747    1.4772462    0.1343040  0.00   -0.0157347    0.0097179    0.0018682
 C    0.5336320   -0.3083720    0.1777053  0.00   -0.0271689    0.0323519    0.0798115
 H    0.5000441   -1.4047874    0.1888346  0.00    0.0053041    0.0014858   -0.0204141
 C    1.7819346    0.3168912    0.1182922  0.00   -0.0217946   -0.0316347   -0.0361753
 H    1.8277161    1.4091013    0.1461825  0.00    0.0022779    0.0136184   -0.0145238
 C    2.9520250   -0.4086554   -0.0545163  0.00    0.0254677    0.0227517   -0.0016756
 H    2.9156969   -1.5001040   -0.1071441  0.00   -0.0072754   -0.0044219    0.0087512
 N    4.1700670    0.1242546   -0.1937680  0.00   -0.0199385   -0.0200632    0.0152997
 H    4.9868646   -0.4573631   -0.3470778  0.00   -0.0022610   -0.0027698    0.0050754
 H    4.3153211    1.1305683   -0.1787957  0.00   -0.0064446    0.0077628   -0.0029631
 C   -3.1483657    0.4173478   -0.0815245  0.00   -0.0241516    0.0238288   -0.0404053
 H   -3.1538892    1.4994654   -0.2494698  0.00    0.0110491    0.0021230   -0.0097849
 C   -4.3167373   -0.2688490   -0.2060308  0.00    0.0102677   -0.0017625   -0.0308643
 H   -4.3518248   -1.3552807   -0.0697289  0.00   -0.0130128    0.0292851   -0.0107442
 H   -5.2371931    0.2486584   -0.4810956  0.00   -0.0000066    0.0108655   -0.0090645
 H    0.9950186    1.5789401   -2.1801977  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0048893820
 C   -1.9151157   -0.2531501    0.1458660  0.00    0.0025212   -0.0005056   -0.0110511
 H   -1.9414368   -1.3476800    0.2317390  0.00    0.0012177    0.0117453   -0.0056734
 C   -0.6852878    0.3842342    0.1950130  0.00    0.0257977    0.0231972   -0.0561251
 H   -0.6607551    1.4765527    0.1395259  0.00   -0.0177081    0.0110657   -0.0076683
 C    0.5328915   -0.3075726    0.1828318  0.00   -0.0080055    0.0241205    0.0758846
 H    0.5006092   -1.4042542    0.1952501  0.00    0.0045853    0.0050095   -0.0227841
 C    1.7819446    0.3180954    0.1234359  0.00   -0.0332315   -0.0308748   -0.0387073
 H    1.8271273    1.4106245    0.1540322  0.00    0.0045106    0.0072209   -0.0164274
 C    2.9507903   -0.4079203   -0.0563452  0.00    0.0311430    0.0210150    0.0021166
 H    2.9123738   -1.4996483   -0.1115098  0.00   -0.0062774    0.0030791    0.0072600
 N    4.1697628    0.1230939   -0.2002301  0.00   -0.0314522   -0.0237732    0.0240055
 H    4.9853098   -0.4612787   -0.3503810  0.00   -0.0031110    0.0010148    0.0026783
 H    4.3184898    1.1288808   -0.1753945  0.00   -0.0064144    0.0036524   -0.0063727
 C   -3.1462469    0.4166810   -0.0847864  0.00   -0.0464266    0.0339332   -0.0227637
 H   -3.1520497    1.4982200   -0.2525574  0.00    0.0147181    0.0110922   -0.0168798
 C   -4.3149161   -0.2683600   -0.2104884  0.00    0.0109481   -0.0071679   -0.0475574
 H   -4.3511035   -1.3543190   -0.0737021  0.00   -0.0141487    0.0232563   -0.0060542
 H   -5.2321011    0.2484129   -0.4961635  0.00   -0.0075244    0.0156982   -0.0052232
 H    0.8932681    1.7038626   -2.0640200  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0048915309
 C   -1.9132172   -0.2529763    0.1466321  0.00    0.0089301    0.0041001   -0.0317287
 H   -1.9354535   -1.3458713    0.2328451  0.00   -0.0046915   -0.0145226    0.0002740
 C   -0.6858664    0.3874396    0.1982713  0.00   -0.0061549    0.0384414   -0.0044508
 H   -0.6673359    1.4793460    0.1516067  0.00   -0.0064688    0.0249994   -0.0202502
 C    0.5305803   -0.3018393    0.1982814  0.00    0.0576060   -0.0019592    0.0017650
 H    0.5023725   -1.3987210    0.1962748  0.00   -0.0089601    0.0039830   -0.0028139
 C    1.7817345    0.3191053    0.1295002  0.00   -0.0242893    0.0060807   -0.0135347
 H    1.8381303    1.4119767    0.1647125  0.00   -0.0139281   -0.0056119   -0.0179127
 C    2.9471983   -0.4090287   -0.0599026  0.00    0.0247696   -0.0207010    0.0057293
 H    2.9048639   -1.5016288   -0.1198331  0.00   -0.0024668    0.0221814    0.0078386
 N    4.1662979    0.1195075   -0.2083922  0.00   -0.0115961   -0.0038369    0.0235396
 H    4.9813936   -0.4657804   -0.3634802  0.00   -0.0194953    0.0133783    0.0041208
 H    4.3159578    1.1261378   -0.1744431  0.00   -0.0039785   -0.0221595   -0.0100559
 C   -3.1424823    0.4142987   -0.0951360  0.00   -0.0279250    0.0277757   -0.0051833
 H   -3.1424384    1.4937378   -0.2679592  0.00   -0.0011217    0.0312390   -0.0250647
 C   -4.3108095   -0.2704803   -0.2127311  0.00   -0.0122299    0.0067330   -0.0388057
 H   -4.3509821   -1.3531045   -0.0630963  0.00   -0.0074319   -0.0008451   -0.0075704
 H   -5.2285711    0.2454978   -0.4942449  0.00   -0.0200580    0.0236490   -0.0170925
 H    0.7313501    1.8698412   -1.8672398  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0048592353
 C   -1.9134324   -0.2519143    0.1503321  0.00    0.0259737   -0.0009806   -0.0496483
 H   -1.9341955   -1.3448456    0.2347658  0.00   -0.0067650   -0.0198212    0.0036996
 C   -0.6862089    0.3889811    0.2019909  0.00   -0.0126173    0.0412539    0.0263713
 H   -0.6685448    1.4810756    0.1598109  0.00   -0.0045345    0.0260087   -0.0284214
 C    0.5299146   -0.3004245    0.2089503  0.00    0.0819465   -0.0050249   -0.0245081
 H    0.5024802   -1.3974604    0.2063438  0.00   -0.0132339    0.0060300    0.0023563
 C    1.7819133    0.3190448    0.1354740  0.00   -0.0245277    0.0062851   -0.0215649
 H    1.8400537    1.4121488    0.1631378  0.00   -0.0172130   -0.0090960   -0.0117081
 C    2.9463731   -0.4097948   -0.0602539  0.00    0.0317006   -0.0208964    0.0071607
 H    2.9040871   -1.5027753   -0.1182107  0.00   -0.0030069    0.0299960    0.0090037
 N    4.1647082    0.1187234   -0.2183999  0.00   -0.0200967   -0.0040563    0.0335038
 H    4.9800729   -0.4669736   -0.3718364  0.00   -0.0275465    0.0187777    0.0028117
 H    4.3147781    1.1255139   -0.1829292  0.00   -0.0046849   -0.0324956   -0.0121535
 C   -3.1416278    0.4138144   -0.0983988  0.00   -0.0242856    0.0338972    0.0093795
 H   -3.1414173    1.4936284   -0.2665507  0.00   -0.0038178    0.0385344   -0.0324826
 C   -4.3083804   -0.2720657   -0.2204669  0.00   -0.0224406    0.0068000   -0.0353449
 H   -4.3483449   -1.3543749   -0.0713631  0.00   -0.0061690   -0.0111644   -0.0073743
 H   -5.2257903    0.2431784   -0.5032020  0.00   -0.0280589    0.0287468   -0.0218980
 H    0.5901995    2.0179139   -1.6502254  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0047445328
 C   -1.9159366   -0.2464611    0.1340114  0.00    0.0266736    0.0120572   -0.0802772
 H   -1.9271575   -1.3458731    0.1801418  0.00   -0.0182233    0.0484462    0.0182129
 C   -0.6839840    0.3937324    0.1819721  0.00   -0.0126745   -0.0416179    0.0003519
 H   -0.6607397    1.4883430    0.1459702  0.00   -0.0007758   -0.0174947   -0.0130241
 C    0.5318957   -0.3102528    0.1755492  0.00   -0.0614576    0.0402858   -0.0308415
 H    0.4938784   -1.4071763    0.1689109  0.00   -0.0104783    0.0123843    0.0105476
 C    1.7823820    0.3056037    0.0997782  0.00    0.0340368   -0.0184340    0.0160667
 H    1.8297164    1.3974230    0.1218097  0.00    0.0045356    0.0269263   -0.0193588
 C    2.9617233   -0.4151253   -0.0478321  0.00   -0.0180067    0.0472284   -0.0135496
 H    2.9412662   -1.5066396   -0.0851888  0.00   -0.0184188   -0.0208084    0.0130115
 N    4.1740543    0.1315128   -0.1829235  0.00   -0.0284233   -0.0069360    0.0200653
 H    5.0044540   -0.4369593   -0.3060084  0.00    0.0001802   -0.0207736   -0.0013915
 H    4.3031954    1.1397642   -0.1813358  0.00   -0.0043324    0.0192045   -0.0009371
 C   -3.1579989    0.4192626   -0.0751499  0.00    0.0532045    0.0144862    0.0028264
 H   -3.1669595    1.5065766   -0.2088228  0.00   -0.0062723   -0.0130293   -0.0280869
 C   -4.3199670   -0.2758552   -0.1991824  0.00   -0.0205632    0.0142988    0.0236048
 H   -4.3456708   -1.3634282   -0.0719751  0.00   -0.0055579    0.0258338   -0.0296579
 H   -5.2543060    0.2388040   -0.4288041  0.00    0.0081009    0.0066225   -0.0363912
 H    0.4214330    2.1482602   -1.3993865  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0047140511
 C   -1.9133744   -0.2459062    0.1393093  0.00    0.0293833    0.0065308   -0.1097420
 H   -1.9229103   -1.3439625    0.1912250  0.00   -0.0201464    0.0300436    0.0235953
 C   -0.6835887    0.3963555    0.1881307  0.00   -0.0243866   -0.0257238    0.0551211
 H   -0.6643995    1.4904848    0.1558330  0.00    0.0049981   -0.0068173   -0.0266337
 C    0.5319911   -0.3043977    0.2013247  0.00   -0.0310436    0.0369111   -0.0670413
 H    0.4973752   -1.4014924    0.1930656  0.00   -0.0152214    0.0132360    0.0222233
 C    1.7829786    0.3104830    0.1241786  0.00    0.0379599   -0.0138413   -0.0475453
 H    1.8392485    1.4024445    0.1201797  0.00   -0.0141313    0.0205972    0.0156573
 C    2.9543949   -0.4152359   -0.0544414  0.00   -0.0134559    0.0226463    0.0122455
 H    2.9246363   -1.5067244   -0.1062458  0.00   -0.0119929   -0.0081414    0.0212085
 N    4.1672521    0.1251589   -0.2045625  0.00   -0.0126207   -0.0011957    0.0200113
 H    4.9921795   -0.4482099   -0.3445741  0.00   -0.0076235   -0.0098405   -0.0042993
 H    4.3037617    1.1328763   -0.1832702  0.00   -0.0027058    0.0036093   -0.0047607
 C   -3.1524098    0.4166406   -0.0896344  0.00    0.0457715    0.0125970    0.0274689
 H   -3.1586563    1.5019952   -0.2306322  0.00   -0.0128529    0.0046416   -0.0361390
 C   -4.3142705   -0.2785399   -0.2095742  0.00   -0.0295421    0.0197908    0.0150775
 H   -4.3428535   -1.3638879   -0.0715195  0.00   -0.0018514    0.0115239   -0.0264121
 H   -5.2468253    0.2343726   -0.4479053  0.00    0.0003902    0.0130610   -0.0390876
 H    0.2470667    2.2965429   -0.9674261  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0036582179
 C   -1.9074473   -0.2430860    0.1531348  0.00    0.0275468   -0.0011303   -0.1382651
 H   -1.9166275   -1.3406601    0.2173082  0.00   -0.0227099    0.0328186    0.0293461
 C   -0.6792105    0.4005681    0.2165452  0.00   -0.0263904   -0.0232590    0.0980035
 H   -0.6606058    1.4943426    0.1739508  0.00    0.0073096   -0.0075964   -0.0327507
 C    0.5360907   -0.2985359    0.2713273  0.00   -0.0648162    0.0450107   -0.0446291
 H    0.5024867   -1.3956806    0.2814531  0.00   -0.0158509    0.0149239    0.0325717
 C    1.7872644    0.3161203    0.2031315  0.00    0.0301205   -0.0205222   -0.3052155
 H    1.8399383    1.4028950    0.0931131  0.00   -0.0159088    0.0361355    0.1354399
 C    2.9384796   -0.4157463   -0.0619738  0.00    0.0217242    0.0125748    0.0788315
 H    2.8953009   -1.5058047   -0.1310985  0.00   -0.0024186   -0.0119952    0.0442648
 N    4.1439856    0.1174731   -0.2798479  0.00   -0.0135690   -0.0044312    0.0156190
 H    4.9528294   -0.4601088   -0.4819789  0.00   -0.0060933   -0.0100691   -0.0088776
 H    4.2912133    1.1233281   -0.2476377  0.00   -0.0023083    0.0056891   -0.0045302
 C   -3.1410778    0.4145450   -0.1170725  0.00    0.0392350    0.0109989    0.0425391
 H   -3.1461053    1.4986300   -0.2682154  0.00   -0.0134149    0.0035673   -0.0392048
 C   -4.2995648   -0.2835629   -0.2555445  0.00   -0.0257088    0.0224366    0.0113298
 H   -4.3298252   -1.3676110   -0.1072413  0.00   -0.0005930    0.0129758   -0.0239754
 H   -5.2270798    0.2254484   -0.5211473  0.00    0.0042025    0.0154229   -0.0406115
 H    0.1062138    2.4204642   -0.2876490  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0036565564
 C   -1.9221199   -0.2491899    0.1853559  0.00    0.0431818   -0.0138678    0.1372822
 H   -1.9638433   -1.3301126    0.3726612  0.00    0.0378557   -0.0080887   -0.0678355
 C   -0.6936126    0.3910591    0.1928766  0.00    0.1092838    0.0974151   -0.1363990
 H   -0.6654956    1.4810013    0.1018488  0.00   -0.0682414    0.0176858   -0.0150352
 C    0.5334399   -0.2800885    0.1419467  0.00    0.0225296    0.0442622    0.1004764
 H    0.5094342   -1.3758030    0.1782478  0.00    0.0336953   -0.0084312   -0.0390294
 C    1.7803754    0.3603692    0.0449892  0.00   -0.1222637   -0.1950592    0.0503186
 H    1.8180778    1.4521375    0.0898801  0.00    0.0418222   -0.0017340   -0.0328055
 C    2.9365182   -0.3986882   -0.0849380  0.00    0.1989556    0.0978844   -0.0182571
 H    2.8634035   -1.4872881   -0.1812124  0.00   -0.0185015    0.0294470    0.0333965
 N    4.1930361    0.0787634   -0.1291332  0.00   -0.1880183   -0.0447029   -0.0064244
 H    4.9858823   -0.5406527   -0.2619221  0.00   -0.0151107    0.0039903    0.0049008
 H    4.3898623    1.0742656   -0.0614334  0.00   -0.0143193    0.0000133   -0.0077637
 C   -3.1477004    0.4069774   -0.0719914  0.00   -0.1821821    0.1213581   -0.1223016
 H   -3.1709804    1.4752907   -0.3149960  0.00    0.0638853    0.0076277    0.0132274
 C   -4.3111374   -0.2877576   -0.2012901  0.00    0.0689874   -0.0632692   -0.0774393
 H   -4.3391486   -1.3679252   -0.0199897  0.00   -0.0436442    0.0283632    0.0041795
 H   -5.2069426    0.2076116   -0.5746959  0.00   -0.0480897    0.0252121    0.0253351
 H    0.2838326    2.4332115   -0.9341659  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0048690064
 C   -1.9139045   -0.2492214    0.1426804  0.00    0.0084485    0.0118001   -0.0382375
 H   -1.9315960   -1.3442930    0.2235153  0.00   -0.0088667    0.0122040   -0.0007170
 C   -0.6851013    0.3921618    0.1893230  0.00   -0.0046029    0.0093368    0.0079925
 H   -0.6652488    1.4852323    0.1460295  0.00   -0.0063708    0.0070683   -0.0223097
 C    0.5323711   -0.3012473    0.1890099  0.00    0.0007232    0.0188796   -0.0341254
 H    0.5010737   -1.3982841    0.1837994  0.00   -0.0080919    0.0090471    0.0024928
 C    1.7823303    0.3194437    0.1116950  0.00   -0.0124775   -0.0124661    0.0496670
 H    1.8339695    1.4118172    0.1629891  0.00    0.0024848   -0.0051187   -0.0450182
 C    2.9510012   -0.4109761   -0.0554736  0.00    0.0185426    0.0175823   -0.0074542
 H    2.9119809   -1.5033234   -0.1042585  0.00   -0.0097636    0.0084248    0.0045804
 N    4.1710992    0.1181382   -0.1942502  0.00   -0.0212846   -0.0037967    0.0177807
 H    4.9886382   -0.4649610   -0.3414165  0.00   -0.0139968    0.0025363    0.0056285
 H    4.3166189    1.1252499   -0.1790461  0.00   -0.0028393   -0.0101004   -0.0049127
 C   -3.1497338    0.4153564   -0.0873991  0.00   -0.0093420    0.0147942   -0.0172658
 H   -3.1572286    1.4971289   -0.2537517  0.00    0.0027821    0.0090626   -0.0201070
 C   -4.3147701   -0.2767098   -0.2054037  0.00   -0.0062690    0.0121362   -0.0078160
 H   -4.3470409   -1.3612095   -0.0599758  0.00   -0.0064305    0.0151327   -0.0165489
 H   -5.2410253    0.2359933   -0.4679350  0.00   -0.0019576    0.0147586   -0.0240840
 H    0.3017321    2.2779164   -1.0996159  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0041517496
 C   -1.9224811   -0.2406899    0.1506716  0.00    0.0982399   -0.0214706   -0.0910104
 H   -1.9347266   -1.3419969    0.2118292  0.00   -0.0055474    0.0862991    0.0169528
 C   -0.6878565    0.4003839    0.1660124  0.00    0.0366448   -0.0624472   -0.0160091
 H   -0.6575016    1.4960544    0.1179285  0.00   -0.0242728   -0.0446752   -0.0141737
 C    0.5318908   -0.3048595    0.1401615  0.00   -0.1257422    0.1013122   -0.0300270
 H    0.4894843   -1.4011193    0.1520288  0.00    0.0080686    0.0084792    0.0234684
 C    1.7811864    0.3133148    0.0423163  0.00    0.0661332   -0.1695802   -0.0728183
 H    1.8297077    1.3988123   -0.0177206  0.00   -0.0001021    0.1045648    0.0649936
 C    2.9636536   -0.4158221   -0.0665130  0.00    0.0354940    0.1329703   -0.0062319
 H    2.9432006   -1.5033165   -0.1428597  0.00   -0.0362885   -0.0540777    0.0610161
 N    4.1899223    0.1222964   -0.1211250  0.00   -0.1361065   -0.0366381    0.0002858
 H    5.0214671   -0.4495856   -0.1964388  0.00    0.0212621   -0.0558598   -0.0212900
 H    4.3324053    1.1253646   -0.0738413  0.00   -0.0120279    0.0680960    0.0027106
 C   -3.1665326    0.4169327   -0.0586293  0.00    0.0522844    0.0881858    0.0164893
 H   -3.1849963    1.5050421   -0.1954169  0.00    0.0047671   -0.0323497   -0.0368580
 C   -4.3227331   -0.2850977   -0.1811861  0.00   -0.0205863   -0.0172802    0.0204019
 H   -4.3368813   -1.3718917   -0.0427344  0.00   -0.0237087    0.0301534   -0.0360039
 H   -5.2548999    0.2235564   -0.4274641  0.00   -0.0163112    0.0026696   -0.0304105
 H    0.2468860    2.3151102   -1.0224828  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0048279363
 C   -1.9133855   -0.2503558    0.1401380  0.00    0.0003635    0.0138540   -0.0321908
 H   -1.9322397   -1.3453107    0.2198478  0.00   -0.0090363    0.0093639   -0.0008769
 C   -0.6845631    0.3900404    0.1886697  0.00   -0.0042491    0.0113283    0.0083623
 H   -0.6640398    1.4829304    0.1447884  0.00   -0.0058328    0.0091352   -0.0204923
 C    0.5320584   -0.3042083    0.1899946  0.00    0.0020962    0.0068224   -0.0407143
 H    0.4998747   -1.4011319    0.1840503  0.00   -0.0083807    0.0073090    0.0002223
 C    1.7817891    0.3160421    0.1133411  0.00   -0.0172388    0.0051237    0.0659928
 H    1.8301232    1.4080925    0.1761823  0.00    0.0092012   -0.0045687   -0.0557066
 C    2.9518433   -0.4106688   -0.0567200  0.00    0.0057735    0.0070404   -0.0054632
 H    2.9147066   -1.5028024   -0.1089838  0.00   -0.0078992    0.0065011    0.0028025
 N    4.1698515    0.1219592   -0.1937839  0.00   -0.0107560    0.0011797    0.0134803
 H    4.9883762   -0.4578215   -0.3474189  0.00   -0.0106278    0.0004651    0.0066391
 H    4.3115020    1.1295149   -0.1793539  0.00   -0.0011482   -0.0070551   -0.0033110
 C   -3.1486557    0.4163078   -0.0872698  0.00   -0.0077973    0.0111788   -0.0220081
 H   -3.1541616    1.4980064   -0.2532870  0.00    0.0015129    0.0116466   -0.0186450
 C   -4.3149723   -0.2737048   -0.2043306  0.00   -0.0060748    0.0133948   -0.0086638
 H   -4.3487763   -1.3582408   -0.0605902  0.00   -0.0062246    0.0130950   -0.0157796
 H   -5.2407811    0.2408260   -0.4645078  0.00   -0.0029424    0.0153425   -0.0241215
 H    0.2749992    2.2935089   -1.0330746  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0048927234
 C   -1.9144754   -0.2481094    0.1475471  0.00    0.0130300    0.0022609   -0.0509627
 H   -1.9333790   -1.3431760    0.2321670  0.00   -0.0067799    0.0175503    0.0017030
 C   -0.6851656    0.3922769    0.1857889  0.00    0.0062793    0.0081520    0.0202992
 H   -0.6635574    1.4852180    0.1387061  0.00   -0.0090169    0.0049792   -0.0254115
 C    0.5321332   -0.3022145    0.1880397  0.00   -0.0176780    0.0212371   -0.0367277
 H    0.4989783   -1.3989841    0.1926815  0.00   -0.0037675    0.0064368    0.0026299
 C    1.7813314    0.3185856    0.1061482  0.00   -0.0101712   -0.0222823    0.0010496
 H    1.8274608    1.4115399    0.1299954  0.00    0.0122279    0.0033018   -0.0120663
 C    2.9506360   -0.4108166   -0.0639307  0.00    0.0098151    0.0281285    0.0077215
 H    2.9108179   -1.5015329   -0.1323037  0.00   -0.0097141   -0.0016999    0.0215558
 N    4.1723820    0.1185139   -0.1838505  0.00   -0.0273274   -0.0054441    0.0068776
 H    4.9900635   -0.4630472   -0.3320347  0.00   -0.0030647   -0.0070581   -0.0007116
 H    4.3198506    1.1242637   -0.1508101  0.00   -0.0027250    0.0053276   -0.0037471
 C   -3.1495628    0.4155545   -0.0858389  0.00   -0.0169249    0.0244629   -0.0082530
 H   -3.1584612    1.4972825   -0.2520812  0.00    0.0059129    0.0088040   -0.0235150
 C   -4.3140458   -0.2770323   -0.2042496  0.00   -0.0007266    0.0084751   -0.0142744
 H   -4.3445052   -1.3613933   -0.0586374  0.00   -0.0104162    0.0130290   -0.0147071
 H   -5.2389621    0.2346667   -0.4720375  0.00   -0.0082263    0.0157439   -0.0221237
 H    0.1381009    2.3828198   -0.6244618  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0049168807
 C   -1.9128866   -0.2476599    0.1404512  0.00    0.0143647   -0.0010772   -0.0446657
 H   -1.9283637   -1.3442678    0.2089459  0.00   -0.0080995    0.0213324    0.0067110
 C   -0.6856418    0.3956201    0.1980139  0.00    0.0166396    0.0006452    0.0023915
 H   -0.6676021    1.4888720    0.1661248  0.00   -0.0049849    0.0100044   -0.0285909
 C    0.5336985   -0.2971738    0.1974384  0.00   -0.0379086    0.0194768   -0.0017033
 H    0.5001863   -1.3941422    0.1965858  0.00   -0.0039110    0.0080607    0.0032381
 C    1.7839601    0.3209033    0.1238234  0.00   -0.0110278   -0.0146395   -0.0292260
 H    1.8370243    1.4129414    0.1304954  0.00   -0.0019321    0.0161693   -0.0006443
 C    2.9497720   -0.4115810   -0.0509357  0.00    0.0065963    0.0053999   -0.0008981
 H    2.9092813   -1.5033023   -0.0916794  0.00   -0.0097748   -0.0060893    0.0120725
 N    4.1677981    0.1145181   -0.2071663  0.00   -0.0178294    0.0030382    0.0123550
 H    4.9814594   -0.4690790   -0.3672115  0.00    0.0015397   -0.0100689    0.0052837
 H    4.3131211    1.1208563   -0.2070207  0.00    0.0014660    0.0100125   -0.0018438
 C   -3.1494739    0.4145836   -0.0925280  0.00   -0.0126615    0.0109299   -0.0197969
 H   -3.1578623    1.4958756   -0.2622162  0.00   -0.0012127    0.0102472   -0.0150785
 C   -4.3129220   -0.2807354   -0.2106345  0.00   -0.0041228    0.0177589   -0.0091578
 H   -4.3422934   -1.3651962   -0.0626058  0.00   -0.0072788    0.0180247   -0.0175553
 H   -5.2403376    0.2297319   -0.4745723  0.00    0.0004439    0.0122590   -0.0230032
 H    0.1082456    2.3989317   -0.4834857  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0049201464
 C   -1.9119926   -0.2503566    0.1385192  0.00   -0.0086962    0.0043034   -0.0309592
 H   -1.9278537   -1.3466812    0.2022815  0.00   -0.0092027    0.0116243    0.0046448
 C   -0.6853818    0.3924428    0.2005358  0.00   -0.0026900    0.0134490   -0.0079128
 H   -0.6686358    1.4847515    0.1740659  0.00   -0.0045812    0.0308653   -0.0309916
 C    0.5334169   -0.2974414    0.1937419  0.00   -0.0054290   -0.0055494   -0.0017578
 H    0.5023837   -1.3944509    0.1947196  0.00   -0.0057514    0.0061510    0.0001920
 C    1.7828265    0.3213778    0.1139177  0.00   -0.0121555   -0.0002032   -0.0015810
 H    1.8360808    1.4139024    0.1218720  0.00   -0.0046894    0.0094550   -0.0077092
 C    2.9500615   -0.4108926   -0.0496328  0.00    0.0029300   -0.0061198   -0.0085759
 H    2.9092896   -1.5033016   -0.0834582  0.00   -0.0053576    0.0022838    0.0104763
 N    4.1679997    0.1156293   -0.2015278  0.00   -0.0029217    0.0068703    0.0031709
 H    4.9822821   -0.4681477   -0.3604254  0.00   -0.0064911   -0.0018987    0.0096719
 H    4.3113334    1.1227453   -0.2111383  0.00    0.0004194   -0.0036996    0.0000313
 C   -3.1488824    0.4147667   -0.0883310  0.00   -0.0056132    0.0026926   -0.0294340
 H   -3.1552648    1.4965431   -0.2540862  0.00   -0.0015563    0.0133075   -0.0120928
 C   -4.3136808   -0.2777383   -0.2103298  0.00   -0.0038225    0.0182127   -0.0071027
 H   -4.3455597   -1.3630050   -0.0692369  0.00   -0.0057087    0.0166891   -0.0164044
 H   -5.2405894    0.2359240   -0.4702122  0.00    0.0020195    0.0127213   -0.0235563
 H    0.0753047    2.4056528   -0.3710696  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0049055273
 C   -1.9120905   -0.2535483    0.1366110  0.00   -0.0125288    0.0096890   -0.0263282
 H   -1.9299828   -1.3496687    0.1960287  0.00   -0.0091698    0.0057332    0.0027578
 C   -0.6849539    0.3875121    0.2013924  0.00   -0.0109900    0.0221620   -0.0085889
 H   -0.6677394    1.4799559    0.1810169  0.00   -0.0051532    0.0297605   -0.0335957
 C    0.5334361   -0.3014235    0.1910803  0.00    0.0082172   -0.0073936    0.0046060
 H    0.5046418   -1.3984390    0.1917189  0.00   -0.0072405    0.0059469   -0.0030731
 C    1.7817824    0.3198555    0.1120585  0.00   -0.0058641   -0.0013227    0.0005619
 H    1.8335616    1.4128088    0.1218519  0.00   -0.0061775    0.0032823   -0.0100230
 C    2.9511317   -0.4100744   -0.0490136  0.00   -0.0151560   -0.0028231   -0.0075141
 H    2.9125930   -1.5028501   -0.0806246  0.00   -0.0025840    0.0052379    0.0089365
 N    4.1673827    0.1199985   -0.1999948  0.00    0.0094256    0.0048838    0.0013191
 H    4.9832746   -0.4619833   -0.3582438  0.00   -0.0060664   -0.0007503    0.0103853
 H    4.3080907    1.1276550   -0.2127540  0.00   -0.0014170   -0.0056544    0.0006200
 C   -3.1476505    0.4156433   -0.0854723  0.00   -0.0015839    0.0066702   -0.0275576
 H   -3.1511024    1.4983874   -0.2445832  0.00   -0.0010879    0.0126268   -0.0129361
 C   -4.3146074   -0.2721885   -0.2104558  0.00   -0.0041300    0.0155774   -0.0118758
 H   -4.3499494   -1.3580123   -0.0766842  0.00   -0.0056636    0.0126819   -0.0146629
 H   -5.2394545    0.2457648   -0.4681872  0.00   -0.0017314    0.0146993   -0.0229396
 H    0.0455782    2.4022442   -0.2678070  0.00   -0.0000000   -0.0000000   -0.0000000
19
 Energy =    -327.0048766172
 C   -1.9122398   -0.2559536    0.1340961  0.00   -0.0183340    0.0100197   -0.0242471
 H   -1.9317442   -1.3522087    0.1874077  0.00   -0.0090223    0.0055248    0.0016044
 C   -0.6844941    0.3832040    0.2024404  0.00   -0.0155136    0.0237951   -0.0074321
 H   -0.6657343    1.4754613    0.1895384  0.00   -0.0071247    0.0341714   -0.0367843
 C    0.5334259   -0.3053433    0.1886190  0.00    0.0114394   -0.0135006    0.0050342
 H    0.5061368   -1.4023821    0.1880144  0.00   -0.0080880    0.0058254   -0.0047386
 C    1.7807014    0.3177395    0.1088715  0.00   -0.0021088    0.0068824    0.0074664
 H    1.8311477    1.4109235    0.1188533  0.00   -0.0085861    0.0022999   -0.0112038
 C    2.9521642   -0.4091364   -0.0480432  0.00   -0.0154486   -0.0099277   -0.0102421
 H    2.9169467   -1.5022352   -0.0764752  0.00   -0.0021839    0.0052250    0.0080072
 N    4.1670996    0.1242103   -0.1978844  0.00    0.0153739    0.0064992   -0.0004323
 H    4.9848618   -0.4558881   -0.3544161  0.00   -0.0068968    0.0002816    0.0111488
 H    4.3045334    1.1324279   -0.2149495  0.00   -0.0017830   -0.0071191    0.0013852
 C   -3.1467888    0.4167616   -0.0826907  0.00    0.0001376    0.0036936   -0.0249117
 H   -3.1476434    1.5004377   -0.2345659  0.00   -0.0018902    0.0122176   -0.0133453
 C   -4.3155371   -0.2675002   -0.2101114  0.00   -0.0034196    0.0164475   -0.0146562
 H   -4.3533367   -1.3541415   -0.0837306  0.00   -0.0055160    0.0153510   -0.0146324
 H   -5.2394922    0.2542472   -0.4634892  0.00    0.0004642    0.0132693   -0.0220042
 H    0.0161687    2.3915078   -0.1756543  0.00   -0.0000000   -0.0000000   -0.0000000
