%chk=000211324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211324

0 1
O -1.788734 0.874674 1.101625
O 0.189239 -0.253903 2.072735
O -1.087779 0.971236 -1.048744
O 5.281148 1.495206 -1.087565
N -5.248506 1.742689 0.063344
N -0.717334 -3.344258 -1.501559
C 0.206397 -0.321393 0.642138
C 1.567823 0.184173 0.216312
C -0.033718 -1.752927 0.196001
C -0.923280 0.588111 0.083228
C 1.832511 0.455553 -1.140936
C 2.574279 0.361806 1.173155
C -2.943556 1.732137 0.820498
C -4.005676 0.907383 0.083478
C 0.282668 -2.805108 1.066498
C -0.523833 -2.067901 -1.087162
C 3.087432 0.893021 -1.537751
C 3.846700 0.802123 0.797723
C 4.089808 1.061416 -0.556506
C 0.088197 -4.122985 0.648243
C -5.298267 2.592391 -1.163546
C -6.468547 0.887750 0.155012
C -0.414678 -4.353212 -0.642786
C 6.389610 1.714925 -0.181249
H -3.252045 2.023012 1.841427
H -2.602660 2.610044 0.247878
H 1.039715 0.335258 -1.885965
H 2.360568 0.157679 2.227263
H -4.175914 -0.045121 0.629786
H -3.635270 0.621649 -0.925978
H 0.680969 -2.583670 2.060825
H -0.774568 -1.282215 -1.816780
H -0.734433 -0.323980 2.422490
H 3.314762 1.110324 -2.579220
H 4.614990 0.936030 1.550764
H 0.326144 -4.955842 1.305616
H -4.391235 3.215932 -1.214274
H -5.383358 2.037200 -2.109501
H -6.158445 3.276897 -1.084979
H -7.358313 1.538443 0.177410
H -6.592611 0.165265 -0.664802
H -6.450872 0.336538 1.109062
H -0.584155 -5.369439 -1.017834
H 6.140887 2.498565 0.540045
H 6.669363 0.778981 0.310459
H 7.177574 2.049044 -0.869177


%chk=000211324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211324

0 1
O -1.785871 0.855198 1.262050
O 0.243916 -0.433883 2.163562
O -0.965569 1.152610 -0.900798
O 5.415055 1.454325 -1.093116
N -5.250400 1.729967 0.020659
N -1.014531 -3.219993 -1.630175
C 0.229884 -0.361618 0.700037
C 1.621224 0.122152 0.243117
C -0.094709 -1.765549 0.121773
C -0.868904 0.637161 0.230561
C 1.973274 0.139038 -1.132117
C 2.564645 0.562235 1.195877
C -2.969299 1.719101 0.949303
C -4.117382 0.855987 0.391733
C 0.321477 -2.904368 0.855347
C -0.754720 -1.979202 -1.114585
C 3.238961 0.589585 -1.541155
C 3.844459 1.012677 0.798467
C 4.181551 1.027911 -0.576479
C 0.068263 -4.189181 0.333528
C -5.107761 2.327278 -1.324811
C -6.574401 1.105892 0.216753
C -0.601507 -4.300941 -0.907605
C 6.422102 1.919915 -0.137368
H -3.244978 2.178618 1.909393
H -2.652041 2.491277 0.228533
H 1.258046 -0.192812 -1.890417
H 2.290265 0.543250 2.253337
H -4.445954 0.150744 1.175998
H -3.743483 0.246495 -0.465909
H 0.823154 -2.762540 1.816858
H -1.097224 -1.138061 -1.727583
H -0.678944 -0.241978 2.478996
H 3.520708 0.610584 -2.598050
H 4.555701 1.344342 1.560969
H 0.379499 -5.089091 0.873736
H -4.123591 2.814814 -1.428876
H -5.202092 1.573541 -2.145705
H -5.884757 3.098270 -1.472228
H -7.363933 1.857079 0.034499
H -6.763845 0.238591 -0.463831
H -6.674687 0.755506 1.259049
H -0.821022 -5.281545 -1.345439
H 6.062696 2.801037 0.429433
H 6.708905 1.116873 0.569468
H 7.290818 2.202212 -0.750093


