%chk=000229738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229738

0 1
O -2.929113 2.547088 0.379632
O 0.540202 0.459704 2.513498
O 0.439214 0.631895 -2.118551
O -0.820914 3.250497 -0.046334
N 0.136586 0.600162 0.214303
C -1.314811 0.834650 0.315470
C -2.125948 0.059627 -0.737392
C 0.969541 0.451872 1.391247
C 0.901282 0.554825 -1.011456
C 2.361397 0.296510 0.857913
C 2.322694 0.362391 -0.562878
C -2.027022 -1.426453 -0.532725
C -1.581394 2.344383 0.173730
C 3.549644 0.121621 1.533999
C 3.473087 0.256186 -1.314080
C -1.210812 -2.197189 -1.374027
C -2.752514 -2.048563 0.494797
C 4.732795 0.010738 0.764841
C 4.695534 0.076981 -0.623003
C -1.123903 -3.579332 -1.188477
C -2.659564 -3.430811 0.676438
C -1.846539 -4.198648 -0.163782
C -3.401071 3.919893 0.311484
H -1.642768 0.524991 1.355138
H -3.189489 0.387261 -0.682699
H -1.787720 0.339291 -1.763266
H 3.583132 0.071281 2.623196
H 3.448383 0.309920 -2.403396
H -0.645908 -1.715489 -2.173150
H -3.388721 -1.457526 1.150575
H 5.685154 -0.127273 1.279627
H 5.618826 -0.008195 -1.198671
H -0.491530 -4.174963 -1.844816
H -3.222673 -3.910930 1.475230
H -1.777275 -5.274711 -0.020668
H -2.899604 4.517663 1.079266
H -4.472755 3.812846 0.508905
H -3.204424 4.325310 -0.686020


%chk=000229738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229738

0 1
O -2.976293 2.660675 0.194342
O 0.428105 0.179847 2.522447
O 0.406399 0.982101 -2.120806
O -0.731324 3.276674 0.109878
N 0.065927 0.605558 0.210314
C -1.368730 0.875641 0.311917
C -2.234052 0.033046 -0.679444
C 0.869203 0.303696 1.354210
C 0.848714 0.716672 -0.975592
C 2.269092 0.184603 0.842361
C 2.257724 0.435262 -0.550833
C -2.036662 -1.462965 -0.486302
C -1.609729 2.393436 0.179560
C 3.458448 -0.109810 1.525140
C 3.436514 0.399384 -1.309740
C -1.250877 -2.212585 -1.398195
C -2.626299 -2.134472 0.615935
C 4.657255 -0.147822 0.766626
C 4.646310 0.103033 -0.629323
C -1.058950 -3.601280 -1.214192
C -2.435938 -3.520950 0.804147
C -1.649924 -4.259686 -0.111517
C -3.347883 4.096892 0.119044
H -1.647470 0.599951 1.349501
H -3.283917 0.319792 -0.494961
H -1.977233 0.328717 -1.710127
H 3.453922 -0.300661 2.602743
H 3.416229 0.597613 -2.385860
H -0.795700 -1.704254 -2.257095
H -3.244453 -1.570622 1.326641
H 5.606658 -0.372675 1.264262
H 5.587698 0.068747 -1.188149
H -0.452065 -4.167446 -1.929947
H -2.900463 -4.025347 1.659001
H -1.503178 -5.336145 0.031994
H -2.928527 4.641620 0.981262
H -4.446271 4.102826 0.138932
H -2.961260 4.538438 -0.814277


