%chk=000295496.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295496

0 1
S -0.276325 -1.567864 1.724981
O -1.014488 -1.610129 2.978607
O 1.015445 -2.211680 1.610849
O 4.801846 -0.955045 -1.267302
O 4.314259 0.345477 0.519788
N -0.029156 0.115456 1.437872
N -1.775546 0.970471 2.931615
N -0.695971 2.896168 -1.308804
C 1.277304 0.644868 0.952857
C -1.046832 1.039999 1.736523
C 1.522731 0.308377 -0.528290
C -1.523673 2.145816 1.001416
C -2.578675 2.758199 1.771701
C -2.734040 2.012620 2.939891
C -1.289650 -2.074013 0.437992
C 2.536413 -0.823207 -0.709574
C -3.329291 3.965746 1.372715
C -3.671160 2.171923 4.069826
C -0.763708 -2.857375 -0.597671
C -2.643186 -1.711582 0.412801
C 3.930367 -0.374314 -0.372188
C -1.575521 -3.268423 -1.653089
C -3.460628 -2.118418 -0.639480
C -2.932274 -2.899189 -1.684210
C -1.069274 2.562015 -0.263207
C -3.806986 -3.317740 -2.815816
C 6.229675 -0.674392 -1.125322
C 6.540657 0.702742 -1.674007
H 2.094961 0.230052 1.594449
H 1.308013 1.748869 1.101153
H 1.872498 1.221664 -1.056960
H 0.573422 0.046920 -1.038996
H -1.694278 0.228359 3.628698
H 2.499517 -1.222653 -1.744740
H 2.285430 -1.687872 -0.038272
H -3.432005 4.039339 0.279236
H -2.809764 4.878399 1.706387
H -4.341034 3.988666 1.798863
H -4.496622 2.852320 3.810681
H -3.167447 2.598664 4.951952
H -4.123538 1.217788 4.377203
H 0.291648 -3.155295 -0.577464
H -3.067947 -1.107309 1.221636
H -1.157256 -3.875822 -2.454344
H -4.510158 -1.827598 -0.655265
H -4.020496 -2.465495 -3.481739
H -3.358968 -4.103946 -3.439176
H -4.778070 -3.700272 -2.467744
H 6.664577 -1.492952 -1.726852
H 6.503330 -0.778868 -0.060279
H 7.620528 0.884089 -1.717382
H 6.135829 0.835009 -2.685370
H 6.098319 1.488842 -1.042847


%chk=000295496-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295496

0 1
S -1.758182 -1.471215 -0.647110
O -3.050138 -0.470624 0.206967
O -0.620765 -2.041514 0.414022
O 5.670222 0.710460 -0.744743
O 4.076781 2.413516 -0.832840
N 0.074955 0.904953 0.273231
N -1.930127 1.775531 1.147272
N 2.466844 2.813864 3.187538
C 1.505752 0.593036 0.221160
C -0.483173 1.652711 1.176781
C 1.954926 0.466951 -1.251543
C 0.010860 2.471362 2.343214
C -1.106919 3.044282 2.936465
C -2.288996 2.562194 2.158090
C -2.917432 -2.951592 -0.821875
C 3.441197 0.079168 -1.370932
C -1.171293 3.958099 4.121964
C -3.715703 2.885822 2.474665
C -2.492471 -4.174570 -0.279677
C -4.143955 -2.819348 -1.499893
C 4.382354 1.204202 -0.958391
C -3.324526 -5.306467 -0.428976
C -4.962865 -3.961180 -1.639618
C -4.563958 -5.220169 -1.114669
C 1.352315 2.647290 2.778652
C -5.441198 -6.446339 -1.297975
C 6.719879 1.714222 -0.377084
C 7.329329 2.344608 -1.632279
H 1.595519 -0.404771 0.700657
H 2.146527 1.310634 0.769053
H 1.781518 1.427538 -1.768608
H 1.328666 -0.299825 -1.740949
H -2.642254 0.461748 0.435699
H 3.679611 -0.177141 -2.421965
H 3.681212 -0.822456 -0.777803
H -0.171049 4.152403 4.541381
H -1.804365 3.526213 4.920643
H -1.626180 4.929758 3.848863
H -3.886552 3.979046 2.468583
H -3.985187 2.526201 3.485997
H -4.388489 2.413413 1.743297
H -1.540874 -4.211580 0.263908
H -4.468911 -1.845944 -1.880855
H -3.008787 -6.267315 -0.005205
H -5.926274 -3.872412 -2.156327
H -5.322479 -6.871034 -2.313772
H -5.183600 -7.240282 -0.575947
H -6.510994 -6.201495 -1.170742
H 7.455532 1.121202 0.189121
H 6.259926 2.477265 0.274999
H 8.157206 3.019511 -1.345637
H 7.733444 1.569635 -2.306338
H 6.575924 2.937835 -2.177167


