%chk=000207342.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207342

0 1
O -0.176709 3.028582 0.037707
O -2.396885 -0.248213 1.419786
O 1.036191 -2.460933 1.666685
O 3.373529 0.482788 -2.169791
O -1.514199 -2.650704 1.119135
O -4.361930 1.120808 -0.135153
C 1.466792 -0.361073 0.604673
C 1.198519 1.157501 0.843019
C -1.096424 0.855106 -0.392359
C -0.252134 1.691875 0.604161
C -1.777064 -0.436510 0.137330
C 2.874204 -0.643168 1.215302
C 3.801374 -0.006757 0.162383
C 0.391137 -1.227199 1.297442
C 1.676233 -0.722738 -0.892590
C 3.194657 -0.543338 -1.172006
C -0.820808 -1.609999 0.411308
C -2.911557 -0.722525 -0.922431
C 2.238794 2.005885 0.075951
C 3.686845 1.523502 0.263274
C -2.255747 1.674126 -1.005185
C -3.449337 0.722129 -1.185202
C -0.948110 1.982451 1.933580
C 3.866822 -1.828278 -1.651581
C -3.977018 -1.664994 -0.372403
C -2.343696 -1.291074 -2.226977
H 1.408673 1.329467 1.934298
H -0.402757 0.549714 -1.223498
H 3.047325 -1.730511 1.323296
H 3.000494 -0.215642 2.218937
H 4.856289 -0.318518 0.281321
H 0.039339 -0.749266 2.242237
H 1.363493 -1.762888 -1.084333
H 1.079718 -0.071302 -1.556255
H -0.494316 -2.122761 -0.522863
H 2.159342 3.060866 0.407242
H 2.008700 1.994788 -1.009815
H 4.322598 1.990667 -0.516094
H 4.081882 1.857868 1.239398
H -2.542453 2.517221 -0.335668
H -1.962191 2.143146 -1.956249
H -3.968413 0.826750 -2.153841
H -1.048698 1.079185 2.549124
H -0.396427 2.742825 2.501377
H -1.954021 2.391063 1.770175
H 3.834400 -2.605013 -0.875608
H 3.384827 -2.244844 -2.540873
H 4.922294 -1.655651 -1.894452
H -4.404685 -1.296978 0.568982
H -4.790097 -1.829835 -1.084454
H -3.533643 -2.648232 -0.141504
H -3.131226 -1.422202 -2.978963
H -1.576465 -0.646455 -2.668154
H -1.897730 -2.281899 -2.067523
H 0.215424 3.025727 -0.854659
H -3.127735 0.433891 1.346665
H 0.345880 -3.153600 1.843817
H 3.334855 0.115520 -3.068187
H -2.096167 -2.245923 1.819813
H -5.204991 0.630872 -0.205948


%chk=000207342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207342

0 1
O -0.207639 3.092416 -0.161007
O -2.438312 -0.298484 1.507984
O 1.056296 -2.602783 1.413489
O 3.746068 0.359421 -2.213388
O -1.537018 -2.721485 1.019257
O -4.467551 1.020704 0.246254
C 1.501258 -0.359733 0.539069
C 1.197281 1.180894 0.753436
C -1.215235 0.889895 -0.378066
C -0.279487 1.759727 0.529461
C -1.838858 -0.445072 0.157203
C 2.890932 -0.602331 1.233976
C 3.877943 0.028345 0.229290
C 0.430372 -1.285772 1.177848
C 1.844037 -0.743270 -0.944466
C 3.400688 -0.587642 -1.121193
C -0.840089 -1.598042 0.336300
C -3.019904 -0.715401 -0.877294
C 2.269691 2.018836 -0.006751
C 3.723090 1.564322 0.274087
C -2.446258 1.696718 -0.916863
C -3.637096 0.718180 -0.964837
C -0.884779 2.148571 1.890687
C 4.075686 -1.943662 -1.407078
C -4.050489 -1.774935 -0.423796
C -2.509008 -1.110436 -2.288409
H 1.389100 1.343668 1.834285
H -0.594416 0.594403 -1.248230
H 3.053630 -1.684284 1.359523
H 2.945515 -0.134463 2.234389
H 4.929255 -0.248819 0.433917
H 0.104345 -0.856043 2.150868
H 1.556500 -1.795553 -1.123443
H 1.327996 -0.110037 -1.688670
H -0.526569 -2.004748 -0.637937
H 2.161659 3.081945 0.269432
H 2.111365 1.944645 -1.102448
H 4.395603 2.039245 -0.461581
H 4.032697 1.906502 1.282987
H -2.692468 2.544543 -0.259263
H -2.242832 2.125208 -1.911999
H -4.270416 0.836607 -1.865656
H -0.938501 1.280753 2.564596
H -0.245532 2.929751 2.339030
H -1.901067 2.564801 1.782286
H 3.892337 -2.657615 -0.584934
H 3.671737 -2.400875 -2.333230
H 5.166630 -1.815127 -1.526968
H -4.373331 -1.626606 0.621062
H -4.944206 -1.741681 -1.079283
H -3.617462 -2.786275 -0.486541
H -3.367819 -1.207292 -2.979020
H -1.815136 -0.370257 -2.723172
H -1.999613 -2.089572 -2.263464
H 0.295952 2.983177 -1.008394
H -3.246914 0.291291 1.409065
H 0.285438 -3.220996 1.562757
H 3.653154 -0.120172 -3.075492
H -2.134297 -2.265561 1.679655
H -5.306959 0.495757 0.204481


