%chk=000188963.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188963

0 1
O -0.513970 1.407958 -1.156104
O -4.297250 1.745133 0.082299
O -6.835112 0.973926 0.073786
O 6.428906 0.470657 0.784435
C -1.910728 0.039551 0.230182
C -1.094338 -1.282611 0.405672
C 0.319367 -1.139463 -0.190418
C 0.986231 0.157711 0.348358
C 0.015729 1.360069 0.199872
C -1.237120 1.135207 1.078418
C -3.344864 -0.409623 0.575170
C 2.374418 0.398417 -0.319323
C -2.007978 -2.360197 -0.205825
C -1.749706 0.633927 -1.195136
C -3.451342 -1.824034 -0.050413
C 1.206604 -2.343564 0.157288
C 3.237367 -0.856243 -0.160299
C 2.596224 -2.183510 -0.467878
C 3.043641 1.602591 0.400892
C 2.245203 0.688488 -1.821803
C -4.446588 0.547534 0.185402
C 4.531482 1.736343 0.088822
C 4.538560 -0.802249 0.168372
C 5.278504 0.454006 0.397961
C -5.839020 -0.039471 -0.034926
H -0.992656 -1.489771 1.498736
H 0.242066 -1.055842 -1.303341
H 1.171980 0.019613 1.443733
H 0.506487 2.340007 0.329523
H -1.014768 0.836220 2.109106
H -1.863579 2.045266 1.133774
H -3.414411 -0.502629 1.694068
H -1.881701 -3.329854 0.301964
H -1.768422 -2.537057 -1.268356
H -1.623674 -0.110344 -1.991321
H -2.539535 1.358213 -1.455151
H -3.947855 -1.789578 -1.035156
H -4.056375 -2.490417 0.585820
H 0.740771 -3.280439 -0.202030
H 1.299850 -2.454644 1.255107
H 2.529891 -2.285652 -1.574028
H 3.245182 -3.021945 -0.138718
H 2.913715 1.500324 1.496932
H 2.522481 2.538422 0.116830
H 3.212998 0.920170 -2.276323
H 1.809507 -0.157465 -2.364934
H 1.571168 1.540188 -2.003565
H 4.977136 2.578058 0.656889
H 4.692932 1.990276 -0.979647
H 5.148289 -1.700051 0.283950
H -6.125056 -0.783693 0.733030
H -5.922158 -0.501819 -1.039046
H -6.457984 1.853689 -0.199649


%chk=000188963-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188963

0 1
O -0.553450 1.366163 -1.390109
O -4.427520 1.751926 0.071827
O -6.966748 0.951470 0.316286
O 6.459198 0.400764 1.166504
C -1.950841 0.066337 0.102196
C -1.115801 -1.244893 0.285674
C 0.317017 -1.128997 -0.284770
C 0.984854 0.189812 0.213185
C -0.000558 1.378385 0.003337
C -1.263482 1.214256 0.880992
C -3.362558 -0.424896 0.504879
C 2.437430 0.424089 -0.362311
C -2.021690 -2.364815 -0.305210
C -1.833062 0.601721 -1.351969
C -3.489151 -1.823181 -0.200938
C 1.197209 -2.341148 0.086079
C 3.264601 -0.851175 -0.109119
C 2.627820 -2.178901 -0.484669
C 3.075492 1.631040 0.396748
C 2.420935 0.714756 -1.896475
C -4.540140 0.511378 0.294130
C 4.608571 1.723429 0.252660
C 4.538319 -0.819505 0.400483
C 5.291799 0.422114 0.667798
C -5.953860 -0.074087 0.411422
H -1.029964 -1.412792 1.382796
H 0.244575 -1.077956 -1.390694
H 1.117999 0.089528 1.315258
H 0.487844 2.357972 0.125242
H -1.032621 0.944293 1.926928
H -1.873623 2.133427 0.864680
H -3.342334 -0.614312 1.603616
H -1.900157 -3.317146 0.239161
H -1.757459 -2.560585 -1.361485
H -1.777979 -0.201239 -2.111409
H -2.656074 1.294056 -1.600040
H -3.924098 -1.698101 -1.209824
H -4.151030 -2.508525 0.356622
H 0.752415 -3.277697 -0.302373
H 1.247208 -2.437301 1.190467
H 2.565695 -2.242265 -1.591965
H 3.275566 -3.012132 -0.156766
H 2.830427 1.541356 1.474985
H 2.622610 2.574752 0.039440
H 3.444330 0.910125 -2.264397
H 2.013325 -0.132072 -2.475093
H 1.785027 1.587667 -2.116521
H 5.023171 2.550133 0.856111
H 4.888935 1.928941 -0.800548
H 5.082719 -1.753254 0.594558
H -6.045005 -0.608752 1.380390
H -6.097097 -0.826198 -0.393604
H -6.488292 1.811833 0.138837


