%chk=000294395.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294395

0 1
S -1.576620 2.873969 1.592646
O 1.626507 0.934653 -1.368202
O 3.346786 3.054658 0.799814
O 4.632188 1.173240 0.359877
O -0.465345 2.790421 0.324725
O 2.042461 -1.861948 -0.509123
O -2.306466 4.089464 1.375694
O -0.827291 2.627590 2.797525
O 0.315129 -1.232814 0.811091
O -4.472195 -2.968733 0.364815
O -6.102705 -1.668490 -0.212003
N -4.981893 -1.867967 0.219377
C 3.033450 2.684686 -0.547316
C 3.904317 1.434484 -0.846493
C 1.562586 2.226999 -0.710682
C 2.904721 0.294296 -1.162641
C 4.264167 2.109354 1.415845
C 0.773099 2.097500 0.593394
C 2.837460 -0.741021 -0.036515
C 3.552935 1.368826 2.527765
C 5.512018 2.863964 1.823746
C 0.744601 -1.969237 -0.055928
C -2.590368 1.506222 1.237830
C 0.049434 -3.082995 -0.738538
C -2.133562 0.221076 1.534689
C -3.837245 1.703269 0.635873
C -1.209842 -3.481417 -0.261219
C 0.613993 -3.722658 -1.853286
C -2.922606 -0.887717 1.210061
C -4.637903 0.604381 0.310601
C -4.161057 -0.682667 0.594707
C -1.908624 -4.502721 -0.905902
C -0.085171 -4.752253 -2.487568
C -1.345477 -5.139162 -2.017728
H 3.267602 3.581167 -1.153645
H 4.671942 1.568924 -1.631293
H 0.992795 2.851394 -1.441716
H 3.089300 -0.199580 -2.143303
H 1.280574 2.589479 1.451065
H 0.554904 1.030160 0.814365
H 2.415295 -0.325703 0.903761
H 3.827113 -1.195903 0.163608
H 2.809763 0.653411 2.136704
H 4.253686 0.799556 3.150864
H 3.013249 2.067478 3.185067
H 5.868468 3.509987 1.009554
H 5.326199 3.509697 2.691555
H 6.328140 2.173788 2.074225
H -1.153311 0.054361 2.007660
H -4.191232 2.719335 0.414517
H -1.646718 -2.984466 0.614012
H 1.595497 -3.409375 -2.217561
H -2.557753 -1.907411 1.411513
H -5.616583 0.738336 -0.162419
H -2.898440 -4.791398 -0.543543
H 0.350715 -5.251662 -3.352014
H -1.892083 -5.937926 -2.520507


%chk=000294395-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294395

0 1
S -1.365887 2.356504 2.208754
O 1.399509 1.015728 -1.118976
O 3.644375 3.428816 0.468497
O 3.995558 1.165320 1.029208
O -0.474070 2.590253 0.570238
O 1.825096 -2.092972 -0.462164
O -1.944742 3.766128 2.752479
O -0.395166 1.452330 3.144904
O -0.255404 -1.970452 0.592458
O -5.815565 -2.176445 -0.234531
O -7.196284 -0.378972 0.017970
N -6.042818 -0.950775 0.096116
C 3.141505 2.615470 -0.649175
C 3.723939 1.188230 -0.424878
C 1.591224 2.404691 -0.647361
C 2.607092 0.198223 -0.808921
C 4.437502 2.533609 1.385956
C 0.989186 2.670331 0.742780
C 2.318411 -0.881966 0.247964
C 4.041485 2.809650 2.831012
C 5.932643 2.734244 1.097267
C 0.522231 -2.532082 -0.219273
C -2.795470 1.337507 1.535791
C 0.182504 -3.737669 -1.028093
C -2.537329 0.009503 1.163474
C -4.051383 1.962654 1.459618
C -1.097966 -4.323893 -0.848761
C 1.093324 -4.300661 -1.959968
C -3.625595 -0.748750 0.683017
C -5.134503 1.197819 0.981314
C -4.898022 -0.142164 0.602232
C -1.466368 -5.460322 -1.596256
C 0.720416 -5.437963 -2.706133
C -0.557857 -6.018805 -2.527052
H 3.470676 3.071057 -1.597625
H 4.656716 1.007907 -0.989342
H 1.081145 3.040295 -1.390172
H 2.868199 -0.314688 -1.752953
H 1.281736 3.679289 1.084372
H 1.332210 1.914526 1.474106
H 1.567151 -0.546622 0.981190
H 3.240823 -1.191672 0.763882
H 2.967966 2.619275 2.985389
H 4.616921 2.159316 3.511437
H 4.258143 3.861521 3.082027
H 6.170707 2.515845 0.041896
H 6.211840 3.782172 1.299445
H 6.537136 2.073249 1.741966
H -1.542075 -0.441024 1.226471
H -4.173531 3.004314 1.771803
H -1.784324 -3.880487 -0.120052
H 2.077713 -3.843021 -2.088728
H -3.491585 -1.786337 0.369928
H -6.140621 1.615372 0.896873
H -2.455490 -5.908853 -1.456564
H 1.422306 -5.872031 -3.426248
H -0.844729 -6.901622 -3.109208


