%chk=000297017.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297017

0 1
O -2.249260 -3.318860 0.071116
O 4.706799 1.396897 0.381071
N -4.112865 -0.245949 0.082778
N 0.161701 -0.399267 -0.345691
N -4.442405 -2.517608 0.245350
C -2.754817 -0.860083 -0.020732
C -1.821855 -0.441695 1.161421
C -2.083635 -0.587636 -1.405813
C -0.360121 -0.888532 0.960243
C -0.606841 -1.027127 -1.456347
C -3.076526 -2.371522 0.099033
C -5.174281 -1.252833 0.243782
C 1.621578 -0.612974 -0.493596
C -4.451602 1.116613 0.033520
C -5.111603 -3.807333 0.386687
C 2.441784 0.411401 0.324485
C -5.825287 1.505313 0.142819
C -3.483575 2.159575 -0.121237
C 3.920130 0.221960 0.171918
C -6.204398 2.862196 0.099339
C -3.880752 3.510258 -0.162233
C -5.240360 3.882902 -0.053380
C 4.734542 -0.858936 -0.112965
C 6.112031 -0.389595 -0.092581
C 6.052616 1.001435 0.217292
C 7.382145 -0.985685 -0.296364
C 7.176764 1.829690 0.333815
C 8.531440 -0.173553 -0.183179
C 8.432955 1.213141 0.126632
H -1.845422 0.655107 1.268156
H -2.216671 -0.871059 2.101787
H -2.137767 0.491279 -1.625075
H -2.655204 -1.112082 -2.194919
H -0.288108 -2.000100 1.026032
H 0.249021 -0.460832 1.776953
H -0.171110 -0.690786 -2.415814
H -0.541075 -2.139951 -1.418023
H -5.737351 -1.118037 1.195917
H -5.911309 -1.221305 -0.591585
H 1.917285 -1.653965 -0.206033
H 1.879612 -0.490489 -1.562030
H -5.663712 -3.868856 1.343672
H -4.333446 -4.587900 0.369333
H -5.819505 -3.985699 -0.445055
H 2.171839 0.343667 1.397506
H 2.167431 1.431582 0.000027
H -6.609191 0.751336 0.262868
H -2.419681 1.931431 -0.210756
H -7.266686 3.119072 0.186483
H -3.109969 4.280653 -0.281407
H -5.538068 4.935712 -0.086476
H 4.395688 -1.873311 -0.313273
H 7.472610 -2.050591 -0.535448
H 7.084067 2.892740 0.573179
H 9.522315 -0.615290 -0.336315
H 9.345408 1.813782 0.206613


%chk=000297017-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297017

0 1
O -2.223760 -3.313801 0.229562
O 4.731564 1.230344 0.764448
N -4.112814 -0.249622 0.099976
N 0.160702 -0.397347 -0.347325
N -4.428102 -2.511427 0.382418
C -2.751362 -0.859766 0.018764
C -1.813854 -0.376449 1.172183
C -2.090648 -0.652624 -1.382144
C -0.350679 -0.824048 0.984792
C -0.610991 -1.084377 -1.420198
C -3.062084 -2.366124 0.216910
C -5.167408 -1.252895 0.319165
C 1.620702 -0.615323 -0.493999
C -4.460157 1.106307 -0.018435
C -5.089393 -3.795282 0.595912
C 2.443263 0.436944 0.280693
C -5.835595 1.492537 0.076918
C -3.499032 2.145220 -0.231625
C 3.918917 0.259589 0.101316
C -6.222787 2.843163 -0.035487
C -3.904178 3.489674 -0.341507
C -5.265459 3.859922 -0.246080
C 4.708898 -0.650924 -0.575808
C 6.097978 -0.274455 -0.358261
C 6.069404 0.886171 0.470354
C 7.355439 -0.784783 -0.767963
C 7.212622 1.565384 0.911522
C 8.523641 -0.119327 -0.336701
C 8.455970 1.038151 0.490203
H -1.843621 0.724197 1.223272
H -2.200023 -0.759831 2.135697
H -2.153608 0.413510 -1.654962
H -2.663350 -1.219627 -2.140433
H -0.270944 -1.930484 1.105628
H 0.260500 -0.352095 1.775014
H -0.183829 -0.793345 -2.398262
H -0.537235 -2.193545 -1.327310
H -5.726598 -1.071619 1.265826
H -5.908719 -1.269353 -0.512895
H 1.923216 -1.643375 -0.169513
H 1.867534 -0.530960 -1.569453
H -5.620699 -3.815868 1.566401
H -4.309183 -4.573996 0.596961
H -5.814247 -4.012079 -0.211687
H 2.208091 0.396388 1.362645
H 2.140042 1.445235 -0.061402
H -6.614686 0.741629 0.239529
H -2.434087 1.918827 -0.312944
H -7.286188 3.098251 0.042980
H -3.138367 4.257048 -0.504289
H -5.569522 4.907829 -0.332959
H 4.346888 -1.494385 -1.160188
H 7.422280 -1.673869 -1.403946
H 7.143419 2.453178 1.546356
H 9.505179 -0.498008 -0.642566
H 9.382265 1.529814 0.806396


