408
Gaussian coordinates
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 C  10.434313  -4.040679  -3.514463
 O  10.572320  -2.901103  -3.077025
 H  10.961961  -5.518502  -4.993665
 H  12.283683  -4.401924  -4.565147
 H  10.944801  -3.841913  -5.600866
 N   9.670680  -4.953984  -2.893584
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 H   9.558293  -5.870927  -3.309299
 H   9.862516  -4.277062  -0.970023
 C   7.862383  -6.886266   1.309655
 H   8.027742  -7.886298   0.904040
 H   8.277742  -6.829737   2.317089
 C   3.614939  -9.097244   1.385075
 O   4.399184 -10.042120   1.259320
 H   5.974075  -8.492199   0.725045
 H   2.579199  -9.290393   1.635639
 C   3.298070  -5.658734   7.411355
 C   3.613420  -5.338095   5.948420
 O   3.361382  -6.137787   5.043140
 H   3.600012  -4.819738   8.040746
 H   3.844544  -6.555083   7.712667
 H   2.225943  -5.831401   7.523557
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 H  -5.666978   0.440328  -7.055534
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 C  -9.552399  -1.238008  -3.474716
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 C  -7.708899  -2.820790  -4.135609
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 H  -8.296324  -3.688344  -3.829587
 H  -5.325408  -1.216150  -3.889669
 H  -7.882494  -3.270192  -1.254384
 N -10.554211  -2.053972  -3.148667
 C -11.306809  -1.962083  -1.897808
 C -10.986859  -3.185377  -1.034039
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 H -10.742216  -2.868407  -3.748030
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 H -11.021286  -1.053160  -1.364973
 N -11.357602  -3.125786   0.247558
 C -11.160786  -4.239113   1.168021
 C -12.238524  -5.310367   0.971881
 O -13.357413  -5.051446   0.508207
 C -11.117809  -3.760798   2.629184
 C -10.081612  -2.655353   2.898187
 C  -8.675207  -2.984760   2.373167
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 H -10.192266  -4.687501   0.940948
 H -12.104565  -3.376561   2.893572
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 H -10.018265  -2.497447   3.976479
 H -10.423316  -1.737792   2.415842
 N -11.907907  -6.529572   1.400093
 C -12.875528  -7.612533   1.446716
 H -10.978932  -6.700954   1.763909
 H -12.392880  -8.515021   1.826422
 H -13.260035  -7.800517   0.442436
 H -13.699613  -7.335735   2.105795
 C  -6.428436   1.377356   9.314947
 C  -4.990626   0.923192   9.052896
 O  -4.679864  -0.266412   9.140332
 H  -6.496522   2.459535   9.186564
 H  -6.714492   1.112561  10.333545
 H  -7.100531   0.884781   8.608547
 N  -4.127374   1.887695   8.735857
 C  -2.693244   1.719828   8.549881
 C  -1.980572   2.607891   9.573026
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 O   0.046232   2.473588   7.169896
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 H  -2.381118   0.685700   8.709861
 H  -2.501428   3.159382   6.961849
 N  -0.821592   2.154774  10.057050
 C   0.112223   2.934566  10.855453
 H  -0.505099   1.238989   9.763971
 H   0.973621   2.315143  11.114973
 H  -0.382289   3.271230  11.768685
 H   0.446809   3.800089  10.281665
 C   6.363628   8.922012   3.715664
 C   5.779016   7.912786   2.733266
 O   6.450823   7.391181   1.838239
 H   5.586735   9.244825   4.411803
 H   6.742906   9.785565   3.167373
 H   7.179645   8.457069   4.271978
 N   4.487723   7.642605   2.925951
 C   3.676495   6.781569   2.065339
 C   2.578160   7.652674   1.462320
 O   1.717106   8.152033   2.182793
 C   3.122848   5.593770   2.879768
 C   2.255260   4.639749   2.031951
 H   4.031414   8.048733   3.733523
 H   4.263598   6.343296   1.256182
 H   3.963545   5.029012   3.289417
 H   2.515036   5.984730   3.697764
 H   1.520255   5.235120   1.485870
 H   2.971768   3.466962   4.434027
 N   2.612371   7.849056   0.142994
 C   1.617338   8.647150  -0.564201
 C   0.371649   7.801977  -0.791669
 O   0.477309   6.678053  -1.286354
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 O   3.715815   5.945529  -1.694652
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 N   5.172274   4.250451  -1.957624
 C   6.101540   4.677085  -0.916437
 C   7.140457   5.644916  -1.502384
 O   7.697639   5.392602  -2.573678
 C   6.739345   3.435985  -0.274415
 H   5.574321   5.223261  -0.132417
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 C   8.453449   7.722638  -1.114560
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 H   8.478059   8.501604  -0.350308
 H   8.215347   8.169595  -2.081769
 H   9.427851   7.234486  -1.168797
Fe  -6.202759  -1.733055   1.270330
 C   9.071104  -4.695491  -1.585889
 C   8.576644  -5.958439  -0.877713
 C   7.914861  -3.656660  -1.656738
 C   6.675246  -4.092510  -2.411766
 C   5.692824  -4.867132  -1.774785
 C   6.424148  -3.679921  -3.732688
 C   4.500876  -5.187760  -2.421501
 C   5.207687  -3.948383  -4.370922
 C   4.247323  -4.706455  -3.706197
 O   3.014006  -4.953618  -4.330313
 H   7.648176  -3.406772  -0.621452
 H   8.355901  -2.760371  -2.103460
 H   5.845123  -5.189787  -0.748366
 H   7.192946  -3.132962  -4.272017
 H   3.748027  -5.780543  -1.913520
 H   4.990214  -3.565393  -5.361450
 H   2.662620  -5.816110  -4.050228
 N   8.482772  -5.858295   0.476899
 C   6.359911  -6.641188   1.486892
 O   5.939624  -5.548092   1.970139
 H   8.761447  -4.982310   0.931632
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 C   4.114267  -7.660197   1.430334
 C   3.291260  -6.757038   0.498264
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 H   3.293538  -7.159863  -0.520215
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 C   6.132839  -3.175563   4.641485
 C   3.807062  -2.593253   3.903276
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 C   2.024741  -4.146847   2.867711
 C   1.332522  -2.114569   3.933065
 C   0.697101  -4.412854   2.505996
 C   0.009548  -2.370561   3.586069
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 C  -0.935071  -0.150310  -2.521534
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 C  -2.319219  -0.000117  -2.403520
 C  -0.638128   1.807529  -1.105966
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 C  -2.024839   1.946970  -0.991272
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 H   0.210176  -1.545676  -5.476215
 H  -1.098036  -2.068388  -3.473467
 H   0.567252  -1.614105  -3.056087
 H   0.981796   0.665063  -1.960985
 H  -2.958551  -0.700154  -2.939202
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 H  -3.938559   1.159682  -1.611521
 H  -2.448541   2.743704  -0.386891
 C  -7.101393  -2.644049  -1.645703
 C  -5.356837  -1.351786  -1.734949
 N  -6.167493  -1.975910  -0.864500
 H  -4.503704  -0.774347  -1.449820
 O  -8.118096  -2.072450   1.611696
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 C  -0.910830   1.815434   6.694536
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 H   0.157433   0.552115   5.466506
 H  -1.566018   0.302192   5.408788
 C   1.523594   3.554801   2.846200
 C   2.406013   2.761738   3.812807
 N   3.360624   1.840412   3.096375
 H   2.897551   4.168902   1.268962
 H   0.995096   2.864464   2.177154
 H   0.747864   4.034437   3.460046
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 H   2.849090   1.190835   2.466060
 H   4.054570   2.370169   2.499564
 H   3.961126   1.265809   3.722279
 C  -1.967231   4.920543   3.141774
 C  -3.793933   4.446290   1.637216
 C  -2.136356   3.705327   3.817309
 C  -3.985715   3.237319   2.300587
 C  -3.163847   2.873725   3.391269
 H  -1.491806   3.429526   4.648559
 H  -4.784366   2.567818   1.984476
 H  -3.330654   1.927037   3.902615
 C  -6.353609   1.496736  -0.061432
 N  -6.853938   0.454074   0.736701
 H  -5.310504   1.552223  -0.322281
 H   3.321787   3.277682  -3.481929
 C   5.667820   2.644631   0.467463
 O   5.333161   3.003777   1.637161
 N   5.078705   1.610471  -0.159573
 H   5.435042   3.434292  -2.504575
 H   4.349899   1.064819   0.297788
 H   5.225674   1.437682  -1.150732
 O  -2.645197  -6.011020   1.314153
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 H   7.597059 -10.449162  -0.755089
 H   7.543119  -8.984090  -1.155692
 O   5.682511   0.291803   4.179276
 O  -2.941043  -3.425933  -1.202213
 O  -5.430130  -5.585819  -4.710386
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 H  -5.427698  -6.535258  -4.852742
 O  -0.888575  -4.157935  -5.583526
 O  -3.148609  -0.679865   4.510749
 O  -5.215005  -5.440892  -1.205709
 H  -5.377547  -5.394609  -2.152606
 H  -5.810061  -6.130020  -0.899349
 O  -3.352872  -3.386694  -4.135546
 H  -4.083296  -3.918454  -4.465664
 H  -2.855787  -6.392847   0.450306
 H  -6.541288  -0.532848   3.561392
 H  -6.005860  -2.003332   3.909174
 H  -6.201590  -4.185666   2.022983
 H  -5.192520  -4.171590   0.751608
 H   5.835894  -0.493949   4.748885
 H   6.399273   0.935948   4.297405
 H  -3.101116  -3.306047  -2.171436
 H  -3.618306  -4.027668  -0.844906
 H  -0.787706  -4.554266  -6.463754
 H  -0.012533  -4.030336  -5.179020
 H  -4.056637  -0.475113   4.223220
 H  -2.910876  -1.556382   4.159800
 H  -2.522380  -3.630764  -4.608851
 C  -1.177813   0.420345   2.000376
 N   0.461730  -0.576621   1.038591
 C   1.780614  -0.848902   0.620895
 C   0.815685  -4.013239  -1.371227
 C   3.786428  -1.584908  -1.853444
 C   4.370360  -2.560219   0.415471
 C   3.295608  -2.462312  -0.682446
 C   1.911503  -2.035936  -0.194034
 C   0.775755  -2.746783  -0.550702
 C  -0.654662  -1.277896   0.649418
 C  -1.754783  -0.652379   1.256156
 C  -3.129094  -0.979807   1.176586
 N  -0.491491  -2.353743  -0.160135
 N  -4.274903  -1.209451   1.138708
 N   0.147020   0.473947   1.882054
 O   2.700981  -0.065264   0.976538
 H  -1.691679   1.142332   2.611027
 H  -0.196306  -4.326198  -1.639978
 H   1.283713  -4.812273  -0.782821
 H   1.406686  -3.886859  -2.287637
 H   4.784284  -1.921135  -2.159922
 H   3.855593  -0.532181  -1.558350
 H   3.138545  -1.671269  -2.732214
 H   5.306722  -2.909902  -0.034169
 H   4.088321  -3.282509   1.186009
 H   4.556773  -1.588143   0.885756
 H   3.193869  -3.475024  -1.083460
 H  -1.343912  -2.844883  -0.495217
