%chk=000187457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187457

0 1
S -1.864189 0.546900 1.693268
O 0.354130 -3.048302 0.842706
O -2.615475 -0.052992 -1.612836
O 4.405559 -0.429093 -2.120325
O 4.944388 0.356523 -0.093660
O -5.816408 0.268282 1.205251
O -6.510768 1.783421 -0.294790
N -0.619451 -1.506863 -0.528495
N -4.304965 -1.098444 -0.480580
N 5.478754 -2.479950 0.442909
C -1.956450 -1.679298 0.084168
C -1.986155 -1.258555 1.554824
C 2.959851 -2.117413 0.305078
C 1.811747 -1.829813 -0.664489
C 4.333928 -2.038531 -0.387827
C 0.487339 -2.192940 -0.019806
C 0.474105 1.420343 0.497224
C -0.123870 0.837936 1.658289
C -2.950798 -0.829670 -0.735769
C 1.879816 1.640379 0.519254
C -0.258867 1.767564 -0.676313
C 0.614101 0.525193 2.773528
C 0.375638 2.302145 -1.776718
C 2.637331 1.290782 1.680187
C 2.516409 2.207310 -0.630845
C 4.618231 -0.587586 -0.771636
C 2.019398 0.753201 2.782378
C 1.789773 2.528583 -1.746639
C -5.326885 -0.220970 -1.074263
C -0.393338 2.654373 -3.006421
C -5.940862 0.744765 -0.080142
H -2.229253 -2.773283 0.009442
H -1.168293 -1.769758 2.113040
H -2.925059 -1.562498 2.054835
H 2.820727 -3.129533 0.748154
H 2.910782 -1.414426 1.164570
H 1.925278 -2.420885 -1.599878
H 1.839029 -0.764614 -0.984064
H -0.514252 -0.689195 -1.145190
H 4.328073 -2.666478 -1.325336
H -1.343091 1.606678 -0.701148
H 0.149366 0.097458 3.663880
H 3.720109 1.452215 1.660947
H 3.596204 2.372487 -0.589814
H -4.593715 -1.569379 0.378143
H 2.587036 0.496893 3.675152
H 2.268065 2.968051 -2.619702
H 5.540789 -1.948102 1.308952
H 5.394625 -3.463633 0.683112
H -6.140774 -0.847238 -1.519453
H -4.882545 0.370570 -1.925314
H -1.338802 2.092020 -3.077655
H -0.657048 3.722758 -3.009622
H 0.169388 2.453464 -3.926615
H 4.571806 0.498954 -2.435640
H -6.181761 0.897892 1.886095


%chk=000187457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187457

0 1
S -1.682651 1.063977 1.701817
O 0.121538 -3.212945 1.138870
O -2.575470 -0.210322 -1.625020
O 3.539923 -0.307865 -1.804792
O 5.168482 -0.046065 -0.169487
O -6.707847 -0.944693 0.801745
O -7.720783 0.308349 -0.879486
N -0.695977 -1.564830 -0.270310
N -4.294753 -0.823369 -0.199700
N 5.372546 -2.780237 0.141181
C -1.995982 -1.512472 0.391312
C -1.927712 -0.816622 1.780222
C 2.837504 -2.478553 0.224300
C 1.581698 -2.389012 -0.674393
C 4.188268 -2.281928 -0.561709
C 0.293640 -2.434472 0.144157
C 0.811572 1.767619 0.469420
C 0.163172 1.230118 1.641349
C -2.973216 -0.798501 -0.569487
C 2.243046 2.005032 0.533724
C 0.117449 2.066806 -0.751272
C 0.903402 0.916989 2.786494
C 0.772223 2.610031 -1.863364
C 2.976561 1.652863 1.711829
C 2.896656 2.585100 -0.607639
C 4.388266 -0.788533 -0.812007
C 2.319079 1.106686 2.815958
C 2.181851 2.885092 -1.769705
C -5.303584 -0.115785 -0.989991
C 0.021924 2.920144 -3.145105
C -6.696116 -0.203453 -0.392201
H -2.337125 -2.553059 0.579673
H -1.105474 -1.260617 2.362354
H -2.871015 -0.951093 2.338803
H 2.865079 -3.477394 0.697452
H 2.777938 -1.741379 1.048270
H 1.576588 -3.250635 -1.372770
H 1.618764 -1.475640 -1.292402
H -0.580545 -0.947983 -1.082566
H 4.078978 -2.780039 -1.546334
H -0.955352 1.851146 -0.803818
H 0.388234 0.536879 3.675130
H 4.060659 1.807648 1.725777
H 3.969933 2.800530 -0.539494
H -4.611430 -1.306823 0.643871
H 2.878245 0.837782 3.718136
H 2.693026 3.342779 -2.626148
H 5.861669 -2.068438 0.691292
H 5.252238 -3.677769 0.613034
H -5.347982 -0.510899 -2.023416
H -5.038806 0.954295 -1.094559
H -1.004384 2.518019 -3.115972
H -0.044169 4.012460 -3.313502
H 0.532528 2.487848 -4.025848
H 3.526281 0.694294 -1.801197
H -7.629886 -0.983361 1.171922


