%chk=000297331.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297331

0 1
O 0.919782 -2.417737 0.203671
N -0.604881 -0.670502 0.488197
C -4.293779 0.119288 0.047744
C -5.207530 1.368908 -0.255863
C -3.483455 0.238630 1.369000
C -3.313766 -0.263776 -1.095382
C -1.800509 -1.540445 0.565236
C -2.740131 -1.078018 1.706815
C -2.568051 -1.584073 -0.783220
C -5.850243 1.236887 -1.666083
C -4.409390 2.700347 -0.196139
C -6.364475 1.425505 0.782103
C 0.682306 -1.168810 0.329481
C 1.785951 -0.095294 0.334446
C 3.178494 -0.663765 0.001024
C 4.294406 0.397335 0.114265
C 5.699892 -0.170545 -0.188599
C 6.806728 0.907267 -0.208632
C 8.212730 0.335320 -0.501980
C 9.312436 1.418658 -0.529891
H -4.988440 -0.744069 0.175987
H -2.752395 1.069998 1.278023
H -4.143598 0.506653 2.214995
H -3.854115 -0.376692 -2.052225
H -2.573727 0.550783 -1.245489
H -1.407917 -2.550541 0.782017
H -3.486878 -1.877681 1.883829
H -2.157736 -0.966261 2.641423
H -1.857818 -1.832472 -1.593529
H -3.304734 -2.412317 -0.732748
H -6.666007 1.975358 -1.782324
H -6.284415 0.229701 -1.817005
H -5.119428 1.420008 -2.474142
H -5.053108 3.543557 -0.510544
H -4.052397 2.920159 0.826381
H -3.533106 2.680721 -0.871152
H -6.978595 2.332280 0.625469
H -7.028465 0.545592 0.681981
H -5.991817 1.453028 1.822042
H -0.731229 0.339163 0.581021
H 1.520584 0.706608 -0.385528
H 1.809711 0.382095 1.336578
H 3.164820 -1.087801 -1.021420
H 3.389912 -1.513446 0.676821
H 4.084405 1.238514 -0.580386
H 4.290222 0.830793 1.137029
H 5.679841 -0.694395 -1.167198
H 5.952679 -0.941251 0.569147
H 6.824929 1.435913 0.767906
H 6.558463 1.674665 -0.971957
H 8.192149 -0.198240 -1.474273
H 8.462161 -0.426906 0.264384
H 10.305160 0.984120 -0.749558
H 9.379978 1.940431 0.443672
H 9.098495 2.180755 -1.303226


%chk=000297331-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297331

0 1
O 0.812399 -2.558406 0.566659
N -0.650903 -0.826926 1.073159
C -4.133920 0.107127 -0.056938
C -4.887288 1.403061 -0.551996
C -3.602534 0.197736 1.401294
C -2.973942 -0.347621 -0.986423
C -1.868855 -1.659221 0.933074
C -2.984125 -1.144326 1.871271
C -2.370764 -1.698446 -0.534720
C -5.541417 1.125489 -1.935647
C -3.933800 2.622247 -0.683601
C -6.027920 1.766199 0.440994
C 0.620924 -1.344729 0.893685
C 1.778729 -0.371387 1.151116
C 2.921515 -0.534904 0.122819
C 4.187091 0.263202 0.503059
C 5.331548 0.103082 -0.523349
C 6.611884 0.878281 -0.139777
C 7.756775 0.713577 -1.165568
C 9.033468 1.489017 -0.775025
H -4.896132 -0.707205 -0.067804
H -2.851055 1.013469 1.471764
H -4.416772 0.470773 2.096820
H -3.324355 -0.443183 -2.030314
H -2.175103 0.422017 -0.989611
H -1.564671 -2.681321 1.225421
H -3.784639 -1.910253 1.895971
H -2.594212 -1.052614 2.903629
H -1.533247 -1.996808 -1.191250
H -3.142932 -2.491160 -0.613213
H -6.140217 1.997750 -2.259100
H -6.217894 0.250462 -1.885408
H -4.790221 0.931167 -2.721664
H -4.500736 3.515057 -1.008827
H -3.450230 2.870489 0.279547
H -3.139483 2.443492 -1.430914
H -6.656120 2.574791 0.022118
H -6.682847 0.894416 0.633047
H -5.637214 2.121515 1.411355
H -0.755202 0.160571 1.311628
H 1.421133 0.677682 1.173190
H 2.177447 -0.595044 2.162166
H 2.565815 -0.218031 -0.878518
H 3.158293 -1.612549 0.044115
H 3.937056 1.340449 0.606833
H 4.542988 -0.070908 1.500680
H 4.980749 0.444026 -1.520061
H 5.573806 -0.974558 -0.632375
H 6.963522 0.537105 0.856725
H 6.371397 1.956970 -0.031199
H 7.405026 1.054227 -2.160974
H 7.995145 -0.364341 -1.273460
H 9.835328 1.355177 -1.524458
H 9.422854 1.144358 0.201750
H 8.827956 2.572966 -0.689501


