%chk=000183338.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183338

0 1
O 1.537703 2.180878 -1.095347
O 4.060942 1.019217 -0.726039
O 2.927080 -0.183210 2.505213
O 4.049804 -2.243683 -0.087784
O -6.644769 -0.383155 0.542183
C 1.171722 1.078739 -0.248978
C 2.008073 -0.204038 -0.619833
C -0.348632 0.960334 -0.493660
C -0.950328 -0.336520 0.084948
C 3.370076 0.071861 0.107035
C -2.465702 -0.468195 -0.300904
C 1.337441 -1.449809 -0.002034
C 1.610271 1.428647 1.198678
C -0.139126 -1.558672 -0.379224
C 2.974024 0.773980 1.448907
C -1.085071 2.193334 0.062623
C 2.205475 -0.368778 -2.120069
C -3.197747 0.845477 -0.040973
C -3.069395 -1.597217 0.580792
C -2.568615 2.020439 0.093445
C -2.638739 -0.799888 -1.794749
C 4.319809 -1.134750 0.302744
C -4.701026 0.790257 -0.026318
C -4.591506 -1.699618 0.474729
C -5.230740 -0.354621 0.843554
C 5.599842 -0.821247 1.017088
H -0.486588 0.952455 -1.608038
H -0.894515 -0.274278 1.199430
H 1.444555 -1.442922 1.104708
H 1.877547 -2.362469 -0.342909
H 0.867444 1.087145 1.941131
H 1.662112 2.527341 1.312863
H -0.228168 -1.681938 -1.478209
H -0.563407 -2.483164 0.058916
H 3.747996 1.488169 1.797537
H -0.808443 3.076410 -0.554657
H -0.742424 2.435143 1.090049
H 2.712521 0.503620 -2.558001
H 2.820518 -1.249913 -2.344501
H 1.247993 -0.480984 -2.641344
H -2.787723 -1.423384 1.638005
H -2.615033 -2.566559 0.299429
H -3.122451 2.946089 0.252318
H 2.519435 2.214939 -1.225119
H -2.174837 -0.030844 -2.424141
H -2.192250 -1.763521 -2.057174
H -3.698591 -0.848770 -2.071145
H -5.146683 1.745258 0.318847
H -5.081285 0.664085 -1.064942
H -4.893159 -1.983222 -0.553493
H -4.967201 -2.504955 1.130659
H 4.852906 1.376465 -0.266849
H -5.118334 -0.132163 1.926683
H 2.199131 -0.843549 2.344366
H 6.150043 0.014415 0.572708
H 5.395888 -0.577756 2.075186
H 6.275401 -1.691673 1.017324
H -7.090567 -1.095334 1.031036


%chk=000183338-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183338

0 1
O 1.591264 2.244585 -0.956569
O 4.071456 1.141925 -0.687144
O 3.184720 -0.195948 2.654152
O 4.186294 -2.257261 -0.062794
O -6.804209 -0.274846 0.522144
C 1.184463 1.060385 -0.166899
C 2.029043 -0.215985 -0.576884
C -0.341582 0.947826 -0.433563
C -0.987467 -0.369686 0.073718
C 3.395829 0.076601 0.134210
C -2.505427 -0.485892 -0.344540
C 1.334108 -1.473657 0.044799
C 1.576397 1.282449 1.331582
C -0.145882 -1.591314 -0.369867
C 3.015430 0.723817 1.519002
C -1.082310 2.181645 0.135630
C 2.188425 -0.403220 -2.102190
C -3.240155 0.849618 -0.111232
C -3.176845 -1.580785 0.557225
C -2.583976 2.020892 0.107069
C -2.654222 -0.882867 -1.847122
C 4.430941 -1.072096 0.274473
C -4.764155 0.812957 -0.156943
C -4.715527 -1.648061 0.421544
C -5.345598 -0.282976 0.751726
C 5.812054 -0.676062 0.788320
H -0.445309 0.981515 -1.537390
H -0.978471 -0.338497 1.188068
H 1.372692 -1.445082 1.154800
H 1.894207 -2.372441 -0.258152
H 0.886426 0.752520 2.014189
H 1.520963 2.355641 1.573387
H -0.201889 -1.708665 -1.467434
H -0.558021 -2.521459 0.066019
H 3.736434 1.525830 1.759386
H -0.775559 3.079322 -0.432497
H -0.766941 2.371817 1.184050
H 2.782483 0.406952 -2.551244
H 2.692528 -1.363076 -2.314532
H 1.206073 -0.411229 -2.603997
H -2.922483 -1.364297 1.616136
H -2.746241 -2.572404 0.319906
H -3.177522 2.930947 0.282073
H 2.585198 2.201650 -1.048085
H -2.042859 -0.226069 -2.491678
H -2.345633 -1.929589 -2.022886
H -3.699976 -0.787839 -2.185870
H -5.181435 1.793555 0.133558
H -5.130034 0.602913 -1.183161
H -5.011017 -1.933421 -0.606511
H -5.113616 -2.429591 1.101483
H 4.832041 1.512762 -0.170451
H -5.130198 -0.034423 1.816205
H 2.487067 -0.898916 2.616304
H 6.421545 -0.268362 -0.041763
H 5.752659 0.073580 1.596354
H 6.323810 -1.573807 1.167727
H -7.217293 -0.987982 1.072860


