%chk=000221862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221862

0 1
S 2.560181 -0.005106 -1.130589
O 1.539215 -0.128462 0.244446
O 2.278210 1.272027 -1.730020
O 2.373570 -1.220447 -1.869380
C -2.608173 -0.022627 0.127348
C -4.086269 0.005171 0.121061
C 0.168166 -0.080542 0.130566
C 4.056086 0.005590 -0.292141
C -1.883830 0.783073 -0.766287
C -1.923056 -0.856422 1.028973
C -0.488354 0.767055 -0.770270
C -0.530702 -0.896724 1.035751
C -4.791142 0.330092 1.291313
C -4.791809 -0.293507 -1.055822
C 4.718837 -1.200287 -0.032654
C 4.608865 1.219753 0.133146
C -6.187963 0.356276 1.280842
C -6.188611 -0.267672 -1.058396
C 5.936761 -1.191517 0.652160
C 5.826883 1.227717 0.817934
C -6.888847 0.057326 0.107976
C 6.488581 0.022189 1.077975
H -2.415461 1.436015 -1.459965
H -2.486561 -1.483210 1.720758
H 0.069381 1.413596 -1.454031
H 0.019436 -1.537391 1.720455
H -4.246898 0.568699 2.203341
H -4.248034 -0.552122 -1.963099
H 4.288501 -2.150445 -0.370274
H 4.092755 2.164333 -0.074511
H -6.731670 0.611338 2.188880
H -6.732817 -0.502246 -1.971778
H 6.454621 -2.128646 0.854425
H 6.259156 2.171480 1.149293
H -7.976477 0.077646 0.102792
H 7.439065 0.028599 1.614579


%chk=000221862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221862

0 1
S 2.589425 -0.567049 -0.999402
O 1.486478 0.337335 0.485730
O 2.447078 0.279190 -2.383922
O 2.295520 -2.169436 -0.977799
C -2.727681 0.116736 0.189996
C -4.212005 0.056311 0.117310
C 0.120067 0.240320 0.346263
C 4.270437 -0.229317 -0.232548
C -2.004651 1.185304 -0.421630
C -1.985805 -0.895208 0.870512
C -0.604551 1.248032 -0.356771
C -0.585326 -0.846931 0.941988
C -4.973044 -0.532986 1.167075
C -4.913787 0.584522 -1.003782
C 4.786812 -1.183387 0.659107
C 4.930501 0.957162 -0.591157
C -6.380408 -0.591134 1.099286
C -6.320932 0.524312 -1.073213
C 6.057065 -0.925139 1.223626
C 6.199478 1.194360 -0.014298
C -7.062810 -0.063262 -0.021722
C 6.756026 0.259416 0.890473
H -2.553698 1.987585 -0.925721
H -2.515466 -1.746330 1.311388
H -0.047622 2.068394 -0.820339
H -0.012396 -1.631452 1.446133
H -4.462247 -0.916966 2.057187
H -4.352868 1.012184 -1.842232
H 4.227149 -2.095852 0.886808
H 4.478342 1.654760 -1.302892
H -6.945502 -1.039667 1.923861
H -6.838590 0.926422 -1.951095
H 6.495729 -1.646851 1.920192
H 6.747891 2.106235 -0.271714
H -8.156011 -0.109368 -0.075328
H 7.738996 0.452357 1.333426


