%chk=000228924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228924

0 1
O -2.792168 -1.137353 -0.167523
O -2.737949 1.162284 0.142201
O -5.583849 1.405803 -1.574121
O -5.552280 -0.726026 -1.926083
N -5.375643 0.256673 -1.232732
C -4.931434 0.030873 0.231315
C -4.123252 -1.280652 0.341255
C -4.058768 1.225437 0.688550
C -2.032595 -0.063579 0.414630
C -6.224626 -0.026055 1.075439
C -0.752326 0.017797 -0.405771
C 0.499786 -0.131303 0.461055
C 1.773199 -0.045315 -0.391630
C 3.034007 -0.195398 0.470078
C 4.306900 -0.108627 -0.382863
C -7.100647 -1.237229 0.783072
C 5.568994 -0.260396 0.476932
C 6.840722 -0.171540 -0.376867
C 8.104524 -0.325284 0.482024
C 9.351600 -0.233551 -0.347458
C 10.436308 0.444730 0.022079
H -4.535509 -2.080881 -0.313006
H -4.081038 -1.627468 1.388505
H -3.997467 1.270342 1.790115
H -4.432323 2.193930 0.287069
H -1.933867 -0.212037 1.504393
H -5.953090 -0.017954 2.151626
H -6.808899 0.906672 0.912738
H -0.782811 -0.764540 -1.197936
H -0.740260 0.984636 -0.958490
H 0.517777 0.656402 1.240035
H 0.475110 -1.099406 0.999388
H 1.756370 -0.828611 -1.174587
H 1.799744 0.920446 -0.933383
H 3.051899 0.588101 1.252181
H 3.008908 -1.161461 1.010362
H 4.333360 0.857892 -0.922675
H 4.289013 -0.890388 -1.166814
H -7.292818 -1.367631 -0.292628
H -6.654863 -2.171807 1.143105
H -8.080038 -1.138990 1.269653
H 5.543637 -1.227208 1.015737
H 5.586419 0.521410 1.260793
H 6.871227 0.798469 -0.910947
H 6.821416 -0.949492 -1.164419
H 8.093492 -1.305905 1.004019
H 8.105485 0.436523 1.287900
H 9.317076 -0.782877 -1.290524
H 11.335344 0.492474 -0.574115
H 10.513604 1.003771 0.942423


%chk=000228924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228924

0 1
O -3.152475 -1.354244 -0.770458
O -2.355950 0.548205 0.466594
O -5.102036 2.328087 -0.555584
O -5.429560 0.554630 -1.939426
N -5.116428 1.066776 -0.806674
C -4.820084 0.109411 0.396099
C -4.473822 -1.299945 -0.132346
C -3.620703 0.684552 1.191983
C -2.103346 -0.856197 0.121154
C -6.100357 0.119444 1.281728
C -0.774209 -0.942805 -0.612772
C 0.430400 -0.553626 0.272034
C 1.774079 -0.657136 -0.482918
C 2.990061 -0.273913 0.389722
C 4.338088 -0.384204 -0.357719
C -7.383501 -0.399774 0.597998
C 5.553895 -0.001112 0.515573
C 6.901818 -0.120994 -0.229914
C 8.117561 0.268080 0.653832
C 9.441856 0.089535 -0.058111
C 10.361384 1.064857 -0.270496
H -5.182783 -1.624410 -0.905706
H -4.511423 -1.998544 0.733341
H -3.569163 0.140794 2.161684
H -3.755354 1.761006 1.372028
H -2.121530 -1.455200 1.067479
H -5.880786 -0.499161 2.173930
H -6.257289 1.155036 1.638937
H -0.662793 -1.978869 -0.984586
H -0.835372 -0.280788 -1.496407
H 0.287260 0.478858 0.643652
H 0.463890 -1.211729 1.166320
H 1.906605 -1.692284 -0.862092
H 1.743038 -0.000326 -1.377020
H 2.860580 0.763711 0.761919
H 3.016074 -0.925362 1.288693
H 4.313262 0.266361 -1.256787
H 4.466928 -1.422313 -0.729722
H -7.642179 0.191742 -0.297616
H -7.290796 -1.456710 0.291246
H -8.232335 -0.331041 1.300865
H 5.575779 -0.647826 1.418178
H 5.428671 1.039079 0.882364
H 6.889671 0.523324 -1.131729
H 7.031065 -1.162356 -0.591692
H 8.101514 -0.366314 1.566311
H 8.011534 1.317047 0.993121
H 9.647514 -0.926533 -0.433344
H 11.300224 0.867044 -0.800351
H 10.198925 2.091835 0.080787


