%chk=000179840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179840

0 1
O -3.436058 1.644696 -0.741741
N 1.094672 -0.065249 0.732970
N -1.764951 0.299695 -0.011933
C 0.366761 1.234310 0.841148
C 0.208607 -1.185004 0.274253
C -0.758841 1.381385 -0.195260
C -1.268690 -0.941127 0.633299
C 2.412759 -0.052980 0.178889
C -3.106035 0.552650 -0.302982
C 3.189474 1.128873 0.194748
C 3.011266 -1.252576 -0.270893
C -4.087587 -0.565557 -0.057218
C 4.518297 1.103902 -0.221804
C 4.343875 -1.256357 -0.684055
C 5.105437 -0.084927 -0.666701
C -4.802760 -0.457134 1.245332
C -4.302991 -1.503559 -0.977909
H 1.067090 2.097890 0.757418
H -0.048774 1.276432 1.875980
H 0.557991 -2.110394 0.789338
H 0.300373 -1.355401 -0.823453
H -1.262241 2.373918 -0.101225
H -0.356546 1.327802 -1.232481
H -1.876979 -1.811774 0.297974
H -1.388360 -0.862408 1.739171
H 2.753918 2.065781 0.541547
H 2.457602 -2.185909 -0.285811
H 5.104515 2.022641 -0.200998
H 4.794261 -2.188660 -1.025220
H 6.141057 -0.097413 -0.992590
H -4.107890 -0.435832 2.095930
H -5.503590 -1.286332 1.410756
H -5.392471 0.475252 1.284670
H -5.033557 -2.292019 -0.862788
H -3.781334 -1.543514 -1.924761


%chk=000179840-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179840

0 1
O -3.693095 1.642299 -0.314856
N 1.072561 0.108072 0.104790
N -1.825334 0.343520 0.135139
C 0.426820 1.379623 0.479557
C 0.201293 -1.077613 -0.012354
C -0.965043 1.520654 -0.162662
C -1.134148 -0.830953 0.710801
C 2.462322 -0.005789 -0.065732
C -3.198006 0.505719 -0.009711
C 3.355649 1.038083 0.332082
C 3.030969 -1.184642 -0.644167
C -4.125635 -0.679937 0.173635
C 4.746323 0.906402 0.143864
C 4.424851 -1.303229 -0.816614
C 5.299496 -0.261782 -0.429985
C -5.278928 -0.437348 1.126154
C -4.005546 -1.798380 -0.591434
H 1.039097 2.220023 0.108080
H 0.351046 1.495654 1.583482
H 0.696425 -1.950108 0.459128
H 0.005034 -1.340270 -1.075427
H -1.470159 2.431938 0.204920
H -0.865710 1.627197 -1.260349
H -1.778692 -1.716966 0.625997
H -0.935150 -0.663532 1.790144
H 2.973573 1.941732 0.816661
H 2.384688 -1.999237 -0.985070
H 5.404515 1.723285 0.462776
H 4.828358 -2.217351 -1.268110
H 6.381016 -0.358418 -0.569192
H -4.920721 -0.312100 2.166520
H -6.003530 -1.268560 1.104135
H -5.793996 0.500124 0.849474
H -4.747509 -2.603597 -0.539419
H -3.194536 -1.923415 -1.318658


