%chk=000186889.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186889

0 1
O -3.550476 -1.596284 0.322906
O 4.552810 0.890295 0.107255
C -0.138058 -0.140720 0.195200
C 1.234386 -0.593094 0.230136
C -0.430249 1.230678 0.092044
C -1.196426 -1.120792 0.258389
C 2.278508 0.357034 0.154658
C -1.806993 1.669818 0.063982
C 1.538207 -1.989406 0.338279
C -2.506235 -0.682307 0.206228
C -2.848736 0.710701 0.125219
C 0.660751 2.169999 0.018370
C -0.849375 -2.529630 0.385068
C 1.957623 1.754069 0.048025
C 0.436323 -2.938897 0.422055
C 3.627532 -0.119238 0.188365
C 2.867317 -2.401912 0.367065
C -2.164239 3.051082 -0.021845
C 3.921861 -1.474293 0.291907
C -4.210955 1.137874 0.121339
C -3.482086 3.441707 -0.036178
C -4.521400 2.473431 0.040358
C -4.002587 -2.139050 -0.964400
C 5.974329 0.533139 0.138939
C -5.113655 -3.092506 -0.573428
C 6.665442 1.877989 0.036306
H 0.419797 3.231091 -0.061507
H -1.684431 -3.228306 0.467996
H 2.789287 2.460137 -0.007116
H 0.693462 -3.992866 0.521793
H 3.108668 -3.462197 0.449807
H -1.367038 3.794531 -0.073140
H 4.943655 -1.836537 0.317356
H -4.986547 0.373221 0.200333
H -3.749196 4.495337 -0.101538
H -5.556773 2.808776 0.038639
H -3.148908 -2.643962 -1.447487
H -4.351939 -1.300463 -1.590126
H 6.181226 0.015345 1.091137
H 6.185870 -0.125471 -0.720693
H -5.548472 -3.583640 -1.450537
H -4.746014 -3.871263 0.109382
H -5.917973 -2.568065 -0.039173
H 6.379689 2.538052 0.867688
H 6.385280 2.401410 -0.888843
H 7.755841 1.768886 0.048390


%chk=000186889-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186889

0 1
O -3.595762 -1.632289 0.350738
O 4.623232 0.941771 0.078218
C -0.148334 -0.116808 0.216455
C 1.223597 -0.561945 0.244132
C -0.457205 1.279537 0.092599
C -1.212096 -1.105230 0.307239
C 2.289538 0.399153 0.145734
C -1.847700 1.707432 0.078272
C 1.531552 -1.968337 0.371865
C -2.552875 -0.674981 0.258147
C -2.899221 0.714718 0.168119
C 0.637963 2.209670 -0.006983
C -0.871603 -2.507479 0.450387
C 1.961074 1.792055 0.018585
C 0.444390 -2.919005 0.480490
C 3.649395 -0.061396 0.177185
C 2.886564 -2.372482 0.397382
C -2.236745 3.082850 -0.020524
C 3.940858 -1.436288 0.301358
C -4.272446 1.129846 0.175724
C -3.581968 3.464901 -0.025490
C -4.611303 2.479480 0.078845
C -4.060318 -2.162881 -0.964038
C 6.043510 0.539089 0.120346
C -5.157175 -3.183111 -0.673095
C 6.869640 1.817826 0.015133
H 0.430770 3.278768 -0.105461
H -1.692183 -3.222143 0.561402
H 2.777942 2.514333 -0.057349
H 0.691586 -3.980736 0.598427
H 3.122739 -3.438410 0.495967
H -1.470957 3.860859 -0.089437
H 4.974347 -1.792257 0.325293
H -5.042688 0.360888 0.286746
H -3.848415 4.524866 -0.101362
H -5.662395 2.787904 0.091698
H -3.199424 -2.623907 -1.489359
H -4.436127 -1.320559 -1.579794
H 6.244090 0.005740 1.072132
H 6.254661 -0.149069 -0.723633
H -5.541147 -3.611728 -1.616868
H -4.767964 -4.004825 -0.047481
H -5.997196 -2.710105 -0.135705
H 6.641486 2.498897 0.852467
H 6.656001 2.344289 -0.930632
H 7.947415 1.574802 0.044730


