406
Gaussian coordinates
 C  11.211473  -4.730555  -4.336095
 C  10.419817  -4.218789  -3.129092
 O  10.554498  -3.056834  -2.754462
 H  10.962321  -5.777264  -4.516901
 H  12.280544  -4.639889  -4.135931
 H  10.954974  -4.137434  -5.216896
 N   9.647594  -5.095125  -2.467292
 C   9.030196  -4.779687  -1.175147
 C   8.548556  -6.013742  -0.406139
 O   8.174870  -7.032813  -0.991114
 H   9.538630  -6.033636  -2.832373
 H   9.817932  -4.312044  -0.582681
 N   8.467682  -5.861360   0.921478
 C   7.787296  -6.787533   1.815151
 C   6.281558  -6.507662   1.842615
 H   8.777807  -4.983882   1.321399
 H   7.955769  -7.808691   1.468069
 H   8.190853  -6.675198   2.822546
 N   5.477361  -7.537349   1.550041
 C   3.536282  -8.986515   1.963867
 O   4.320323  -9.937559   1.900367
 H   5.903645  -8.421617   1.299021
 H   3.734768  -6.927981   2.542737
 H   2.497506  -9.164352   2.212565
 C   3.154366  -5.216788   7.783678
 C   3.487314  -4.978741   6.309131
 O   3.244654  -5.827425   5.447153
 H   3.450217  -4.344331   8.368648
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 H   2.080865  -5.381875   7.892685
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 C   4.609681  -3.415412   4.747263
 C   6.029438  -2.869938   4.927190
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 C   8.654674  -2.311696   2.703166
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 H   6.723757  -4.040159   3.420227
 H   8.510623  -2.074251   4.837460
 H   9.043616  -3.687926   4.350095
 N   8.299757  -1.035518   2.508863
 C   8.366339  -0.356884   1.222521
 C   9.746469   0.232792   0.930439
 O  10.548283   0.458220   1.835881
 H   7.986647  -0.491995   3.301858
 H   7.633914   0.452849   1.217913
 N   9.969430   0.532464  -0.353464
 C  11.046167   1.375210  -0.878928
 H   9.257866   0.264088  -1.018643
 H  10.964545   1.433071  -1.965679
 H  12.010964   0.943057  -0.607487
 H  10.963913   2.377153  -0.454336
 C   8.304342   3.345721  -6.256922
 C   7.591914   2.010728  -5.964160
 O   6.796680   1.585476  -6.805168
 H   8.971990   3.591396  -5.429821
 H   7.561331   4.136570  -6.373070
 H   8.884006   3.254086  -7.177391
 N   7.793313   1.376311  -4.795190
 C   7.017157   0.186698  -4.429194
 H   8.450791   1.755551  -4.126313
 H   7.063142  -0.530074  -5.250943
 H   8.625119  -0.802761  -3.379566
 H   7.938631   1.245435  -2.358000
 H   3.257688   0.868916  -6.169923
 C  -1.330801  -0.320568  -5.484911
 O  -1.582533   0.875755  -5.355034
 N  -1.963351  -1.115727  -6.356263
 C  -2.988236  -0.658825  -7.296338
 H  -1.708819  -2.093668  -6.396434
 H  -3.340001  -1.504955  -7.889350
 H  -2.563159   0.098152  -7.957572
 H  -3.825115  -0.229351  -6.742335
 C  -6.679705   0.311344  -6.927815
 C  -7.403130  -0.928042  -6.408883
 O  -7.453446  -1.964519  -7.080520
 H  -6.751264   1.110270  -6.187688
 H  -7.140836   0.637271  -7.862219
 H  -5.629491   0.072012  -7.104120
 N  -7.920861  -0.854913  -5.187743
 C  -8.669926  -1.950930  -4.594373
 C  -9.558787  -1.399691  -3.481681
 O  -9.270322  -0.350713  -2.892907
 C  -7.714443  -3.025347  -4.041651
 C  -6.829018  -2.538706  -2.922456
 N  -5.636141  -1.867534  -3.061994
 H  -7.795280  -0.015385  -4.637342
 H  -9.289359  -2.421366  -5.359774
 H  -7.082602  -3.396694  -4.850960
 H  -8.304611  -3.868752  -3.676593
 H  -5.185110  -1.628154  -3.936459
 H  -7.939742  -3.144290  -1.143276
 N -10.565527  -2.195100  -3.122437
 C -11.332485  -2.032755  -1.887795
 C -11.024690  -3.206008  -0.953438
 O -10.427301  -4.205396  -1.363766
 H -10.747776  -3.041467  -3.677461
 H -12.399021  -2.017107  -2.118832
 H -11.051806  -1.095870  -1.403311
 N -11.410283  -3.074550   0.318195
 C -11.226085  -4.134738   1.301551
 C -12.303025  -5.214112   1.152894
 O -13.415835  -4.980480   0.662380
 C -11.193124  -3.569215   2.730335
 C -10.156703  -2.442312   2.927461
 C  -8.736281  -2.808808   2.472025
 O  -8.110690  -3.697621   3.083955
 H -11.906567  -2.241682   0.603685
 H -10.255821  -4.595974   1.111349
 H -12.188511  -3.176330   2.964740
 H -10.967872  -4.394916   3.417965
 H -10.127645  -2.179080   3.987827
 H -10.488033  -1.552681   2.383895
 N -11.979452  -6.407633   1.652360
 C -12.949163  -7.485233   1.747991
 H -11.055207  -6.559276   2.036064
 H -12.472513  -8.365430   2.183136
 H -13.322122  -7.728654   0.751452
 H -13.780360  -7.171294   2.380725
 C  -6.581168   1.922964   9.176135
 C  -5.141309   1.453563   8.956874
 O  -4.833546   0.270569   9.114278
 H  -6.645997   2.996197   8.986719
 H  -6.879530   1.715810  10.204354
 H  -7.245638   1.392388   8.490574
 N  -4.272968   2.397894   8.596692
 C  -2.837219   2.218558   8.437334
 C  -2.135259   3.161613   9.417465
 O  -2.610286   4.274394   9.643054
 C  -2.437153   2.495346   6.974989
 C  -0.975119   2.136349   6.703454
 O  -0.119834   3.003372   6.553957
 H  -4.620038   3.341454   8.483098
 H  -2.528694   1.194829   8.658485
 H  -2.599219   3.550999   6.745278
 H  -3.068445   1.899117   6.311358
 H  -1.386442   0.146668   6.780704
 N  -0.982916   2.735212   9.939615
 C  -0.057397   3.557410  10.704057
 H  -0.664524   1.804304   9.701948
 H   0.799788   2.952723  11.007882
 H  -0.561971   3.945004  11.591038
 H   0.285236   4.389084  10.086876
 C   6.286037   9.129790   3.316101
 C   5.711438   8.067934   2.384925
 O   6.392761   7.496563   1.528540
 H   5.501662   9.491692   3.983816
 H   6.673052   9.960878   2.725008
 H   7.094620   8.695949   3.907030
 N   4.417716   7.810204   2.577136
 C   3.615357   6.903307   1.756579
 C   2.525713   7.740279   1.093007
 O   1.657192   8.279868   1.774158
 C   3.060142   5.812128   2.689632
 H   3.952687   8.261203   3.355212
 H   4.211121   6.420004   0.980258
 H   3.901776   5.320872   3.183567
 H   2.443126   6.285112   3.457974
 N   2.575697   7.862570  -0.234557
 C   1.590437   8.620736  -0.996824
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 O   0.455943   6.615708  -1.621141
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 H   2.008030   8.886716  -1.970226
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 N  -0.823673   8.350095  -0.899009
 C  -2.121400   7.701708  -1.124038
 C  -2.952500   8.440272  -2.167135
 O  -2.820506   9.652020  -2.375934
 C  -2.923263   7.613206   0.185213
 C  -2.348649   6.764828   1.279588
 C  -1.420974   7.167156   2.178804
 C  -2.696400   5.391866   1.652413
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 C  -3.593652   4.419630   1.147793
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 H  -0.530191   6.253640   3.852926
 H  -4.190624   4.652992   0.276387
 N  -3.820353   7.673544  -2.827059
 C  -4.902383   8.209523  -3.642751
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 H  -5.472071   7.386114  -4.077330
 H  -4.484721   8.824512  -4.441752
 H  -5.559565   8.818416  -3.020872
 C -11.117011   2.579334  -3.695045
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 H -11.852045   2.688729  -2.895778
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 C  -7.505451   3.463629  -2.925780
 C  -6.324089   2.691680  -3.504955
 O  -6.337199   1.460560  -3.606124
 C  -7.330351   3.644357  -1.402093
 C  -7.453181   2.372643  -0.583560
 N  -8.589432   1.949824   0.065924
 C  -8.299064   0.808332   0.711490
 H  -8.720378   1.751067  -3.280403
 H  -7.546868   4.449590  -3.392010
 H  -8.086964   4.349639  -1.050554
 H  -6.355245   4.095187  -1.206303
 H  -9.486426   2.418888   0.053862
 H  -9.015598   0.259470   1.310013
 N  -5.276603   3.447996  -3.814350
 C  -3.986814   2.963808  -4.282478
 H  -5.355286   4.449490  -3.678504
 H  -3.321960   3.811086  -4.456558
 H  -4.122427   2.409892  -5.212993
 H  -3.549635   2.306782  -3.528546
 C  -0.540966   4.540847  -3.870720
 C   0.827000   3.904697  -4.068735
 O   0.961969   2.858491  -4.705701
 H  -0.436253   5.454155  -3.283245
 H  -1.194274   3.841919  -3.344067
 H  -0.973732   4.781515  -4.843553
 N   1.848281   4.588453  -3.545018
 C   3.244365   4.179850  -3.624266
 C   4.043907   4.794821  -2.467705
 O   3.696498   5.856620  -1.949469
 H   1.648476   5.439452  -3.030671
 H   3.308040   3.093999  -3.536119
 H   3.652373   4.517668  -4.579325
 N   5.153008   4.148356  -2.100104
 C   6.070559   4.631562  -1.073639
 C   7.117678   5.564015  -1.700364
 O   7.686894   5.251739  -2.749092
 C   6.743513   3.446187  -0.363202
 H   5.398835   3.289476  -2.577519
 H   5.535139   5.221118  -0.327739
 H   7.481146   3.829093   0.344834
 H   7.271495   2.835660  -1.097113
 N   7.397165   6.688392  -1.024824
 C   8.429184   7.658620  -1.413816
 H   6.892777   6.875853  -0.168100
 H   8.446082   8.478942  -0.694146
 H   8.203186   8.050993  -2.407087
 H   9.403231   7.167345  -1.429196
Fe  -6.278079  -1.621554   1.251317
 C   7.834018  -3.789427  -1.324094
 C   6.775991  -4.342891  -2.249914
 C   5.853792  -5.288994  -1.781000
 C   6.760799  -4.031593  -3.619605
 C   4.969890  -5.927506  -2.649006
 C   5.851550  -4.631390  -4.493466
 C   4.964394  -5.587685  -4.004376
 O   4.078513  -6.169998  -4.903012
 H   7.424159  -3.594338  -0.324504
 H   8.262803  -2.855977  -1.701814
 H   5.842789  -5.550454  -0.726624
 H   7.500551  -3.340022  -4.017661
 H   4.289730  -6.685132  -2.271514
 H   5.841558  -4.403902  -5.551810
 H   3.713187  -7.004113  -4.562680
 O   5.855451  -5.358360   2.164891
 C   4.013536  -7.555602   1.690466
 C   3.333646  -7.009457   0.424901
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 H   3.671016  -5.979979   0.270173
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 C   3.711040  -2.331310   4.084623
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 C   1.252069  -1.823499   4.448502
 C   0.425116  -4.015386   2.954469
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 C  -0.531942  -3.146849   3.498092
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 C   7.592435  -0.498531  -3.194454
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 C   2.219024  -0.589932  -5.021959
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 H   4.923243  -0.812723  -5.532723
 H   3.099769   1.283217  -4.469274
 N   0.974731  -0.073298  -4.987509
 C  -0.174920  -0.910211  -4.688563
 C  -0.425003  -0.976763  -3.140951
 C  -0.013809   0.246186  -2.339606
 C   1.352637   0.489752  -2.100701
 C  -0.944352   1.142980  -1.799408
 C   1.778110   1.628685  -1.413431
 C  -0.527642   2.273980  -1.083443
 C   0.837904   2.535428  -0.916095
 H   0.822861   0.945006  -4.971915
 H   0.058233  -1.921956  -5.031325
 H  -1.475425  -1.237867  -2.955689
 H   0.188045  -1.813482  -2.791780
 H   2.096408  -0.215059  -2.461258
 H  -2.007536   0.968172  -1.949041
 H   2.842066   1.805070  -1.281706
 H  -1.262489   2.957921  -0.670179
 H   1.162331   3.450777  -0.429569
 C  -7.097537  -2.640187  -1.582879
 C  -5.227821  -1.540952  -1.783016
 N  -6.099796  -2.002082  -0.862970
 H  -4.332859  -0.980698  -1.575026
 O  -8.211402  -2.056681   1.532440
 N  -0.658052   0.815058   6.724452
 H   0.297497   0.516931   6.617382
 C   2.256705   4.723650   1.950000
 C   1.645131   3.656748   2.883044
 C   2.583848   2.870079   3.814816
 N   3.497234   1.897393   3.107183
 H   1.424963   5.188171   1.400103
 H   2.912570   4.254089   1.203563
 H   1.058728   2.963070   2.266534
 H   0.918853   4.146588   3.544856
 H   1.986005   2.307014   4.539471
 H   3.228130   3.545544   4.384651
 H   2.986365   1.151458   2.602262
 H   4.081770   2.398950   2.383318
 H   4.170836   1.454260   3.766063
 C  -2.052997   3.806729   3.463242
 C  -3.721310   3.191431   1.790033
 C  -2.959073   2.891431   2.942951
 H  -1.459835   3.588727   4.347844
 H  -4.422741   2.453499   1.415661
 H  -3.068459   1.918525   3.407134
 C  -6.499596   1.404764  -0.305178
 N  -7.043596   0.408422   0.512724
 H  -5.478982   1.357372  -0.648436
 C   5.710397   2.611843   0.358705
 O   5.078706   3.109756   1.334022
 N   5.490718   1.364418  -0.100632
 H   4.749611   0.795705   0.303764
 H   6.004557   0.986632  -0.894127
 O  -3.092045  -5.302241   1.521281
 O  -6.192058  -0.810392   3.253031
 O  -5.522913  -3.531758   1.861674
 O   6.291341  -9.278355  -0.939109
 H   6.864833 -10.046077  -0.967727
 H   6.877294  -8.536624  -1.122491
 O   5.661447   0.767957   4.721681
 H   5.786724  -0.070274   5.180728
 H   6.437154   1.280660   4.958305
 O  -2.872536  -3.675687  -1.072327
 O  -5.488409  -5.687132  -4.173061
 H  -6.122225  -5.259646  -4.753935
 H  -5.417937  -6.579741  -4.520375
 O  -0.822454  -4.262543  -6.022973
 H  -0.866293  -4.924364  -6.716742
 O  -3.733994  -1.338077   4.710895
 O  -5.361603  -5.394065  -1.089779
 H  -5.440275  -5.413243  -2.050300
 H  -5.783422  -6.209242  -0.807158
 O  -3.095256  -3.691607  -4.063490
 H  -2.934594  -5.117952   0.569542
 H  -3.309070  -6.235323   1.673681
 H  -5.334631  -0.902428   3.743772
 H  -6.957734  -0.855468   3.840703
 H  -6.271767  -3.948280   2.349988
 H  -4.762990  -4.104518   1.661982
 H  -2.835915  -3.711350  -2.063892
 H  -3.816493  -3.694505  -0.811507
 H   0.102722  -4.043338  -5.820172
 H  -3.927575  -1.715040   5.581537
 H  -3.188466  -1.967096   4.184529
 H  -3.815647  -4.340503  -4.178292
 H  -2.354973  -3.882058  -4.680245
 N  -1.409305   0.349189   2.172910
 N   0.346741  -0.636506   1.227266
 C   1.671529  -0.937256   0.860526
 C   0.748044  -3.949571  -1.372025
 C   2.167583  -4.284222  -1.876043
 C   3.170251  -2.358775  -0.604656
 C   1.798868  -2.044249  -0.051251
 C   3.067334  -3.046615  -1.971135
 C   0.685554  -2.749170  -0.458903
 C  -0.769543  -1.320743   0.771811
 C  -1.866220  -0.689768   1.356340
 C  -3.246095  -0.948072   1.234395
 N  -0.585186  -2.386556  -0.054156
 N  -4.401223  -1.112048   1.166954
 C  -0.103847   0.369088   2.078875
 O   2.615473  -0.241265   1.325413
 H   0.328602  -4.810181  -0.828942
 H   2.106926  -4.770564  -2.856646
 H   2.635396  -5.003747  -1.194427
 H   0.071311  -3.773126  -2.220109
 H   3.730471  -1.418562  -0.692969
 H   3.738065  -2.992603   0.094510
 H   4.063005  -3.343527  -2.316611
 H   2.672349  -2.359047  -2.729549
 H  -1.420050  -2.891017  -0.401098
 H   0.561002   1.036274   2.586565
