   78
scf done: -2045.967875
 C    -8.171822     1.492916    -0.877535
 C    -8.292916     0.231054    -0.398141
 C    -9.560165    -0.257075     0.345382
 C   -10.696271     0.783238     0.251390
 C   -10.211199     2.210915     0.461536
 C    -9.209571     2.562005    -0.630624
 C    -7.240462    -0.778405    -0.550324
 C    -5.911909    -0.584179    -0.390894
 C    -4.886234    -1.593583    -0.543052
 C    -5.287243    -2.986296    -0.943780
 C   -10.093764    -1.568752    -0.271887
 C    -9.212297    -0.522824     1.826713
 C    -7.038529     1.980814    -1.743813
 C    -3.587377    -1.219260    -0.313216
 C    -2.425695    -2.033180    -0.416399
 C    -1.167306    -1.569818    -0.157420
 C     0.037617    -2.337240    -0.242464
 C    -0.037356    -3.780421    -0.661056
 C     1.220971    -1.701532     0.074419
 C     2.495436    -2.298128     0.066471
 N     3.590837    -1.657076     0.374884
 C     4.923514    -2.258853     0.414601
 C     5.462783    -2.358608     1.843836
 C     6.873357    -2.951849     1.886651
 C     7.424844    -3.058779     3.308541
 O     3.139955     1.033051     1.131455
 C     3.504831     2.176563     0.839482
 O     4.455717     2.566976     0.116714
 C     2.676660     3.361172     1.440964
 F     3.461888     4.184485     2.170800
 F     2.119914     4.106571     0.458809
 F     1.679409     2.948792     2.241276
 H   -11.157275     0.715542    -0.740506
 H   -11.472137     0.519546     0.975796
 H    -9.740809     2.310965     1.444128
 H   -11.051121     2.909958     0.443505
 H    -8.688501     3.496485    -0.392554
 H    -9.736450     2.760394    -1.574276
 H    -9.437226    -2.420092    -0.087050
 H   -10.235079    -1.469656    -1.350744
 H   -11.062500    -1.808200     0.173253
 H    -8.404765    -1.252703     1.915731
 H   -10.083610    -0.918601     2.355785
 H    -8.891112     0.388589     2.334947
 H    -6.466123     1.175029    -2.197703
 H    -6.344971     2.607793    -1.173287
 H    -7.440283     2.614217    -2.540746
 H    -7.577833    -1.787770    -0.756438
 H    -5.556675     0.400687    -0.107452
 H    -3.416935    -0.186270    -0.021822
 H    -2.548710    -3.066466    -0.715871
 H    -1.056936    -0.532827     0.145164
 H     1.179269    -0.657678     0.365821
 H     2.620596    -3.340588    -0.200275
 H    -4.441958    -3.665240    -1.014183
 H    -5.792535    -2.977580    -1.912582
 H    -5.990952    -3.405544    -0.220302
 H     0.934891    -4.258537    -0.730684
 H    -0.519584    -3.867387    -1.636501
 H    -0.639186    -4.350389     0.049998
 H     3.521155    -0.659307     0.632334
 H     4.863488    -3.244795    -0.047234
 H     5.582009    -1.637634    -0.195423
 H     5.469014    -1.362170     2.295846
 H     4.781768    -2.974221     2.439153
 H     6.862659    -3.943767     1.423331
 H     7.543250    -2.334893     1.279779
 H     8.430537    -3.484015     3.309336
 H     7.477478    -2.076892     3.785504
 H     6.792096    -3.697452     3.930133
 H     5.357345     1.637740    -0.533202
 O     5.989348     0.968068    -1.049835
 C     7.201436     1.414588    -1.210629
 O     7.680903     2.459189    -0.841298
 C     8.058496     0.383900    -2.005734
 F     8.072474    -0.816573    -1.391406
 F     7.560792     0.201555    -3.245702
 F     9.325021     0.796801    -2.128142
