%chk=000183792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183792

0 1
S -1.179622 0.773925 1.217114
O -2.810435 -1.972645 -1.851135
O -0.611019 -0.032570 2.293320
O -2.381561 1.535045 1.478389
O -0.524716 -3.368245 -0.815733
O 2.643009 -1.318645 1.317341
O 3.928503 -3.117063 0.851302
N -1.485972 -0.379738 -0.018333
N 0.313477 -2.595804 1.168866
C -1.879218 -1.738812 0.389439
C -3.065667 -2.278727 -0.471801
C -0.637398 -2.632321 0.156584
C -4.379958 -1.595096 -0.137615
C -0.004333 1.787430 0.489874
C -0.263071 3.157190 0.336758
C 1.213465 1.256113 0.049693
C 1.523570 -3.421376 1.063250
C 1.910000 3.456546 -0.700358
C 0.685658 3.988726 -0.251954
C 2.166840 2.084036 -0.544027
C 2.917084 4.352582 -1.336905
C 2.829954 -2.653944 1.042188
C 3.849345 -0.513091 1.435685
H -2.173104 -1.788363 1.474598
H -3.132932 -3.386047 -0.361133
H -1.895119 -0.117839 -0.931090
H -4.771859 -1.907874 0.835788
H -4.293905 -0.499657 -0.126677
H -5.134921 -1.834196 -0.902099
H 0.303364 -1.859710 1.898358
H -1.217960 3.575088 0.681388
H 1.426877 0.183892 0.170802
H -2.016588 -2.492935 -2.156788
H 1.474153 -4.060926 0.134353
H 1.563637 -4.134975 1.927168
H 0.480273 5.051713 -0.368068
H 3.106790 1.661424 -0.893999
H 2.519573 4.809629 -2.256938
H 3.201155 5.179802 -0.668326
H 3.844146 3.833148 -1.615349
H 4.547623 -0.985645 2.135230
H 3.464301 0.436060 1.825259
H 4.307062 -0.406208 0.448178


%chk=000183792-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183792

0 1
S -1.211913 0.742203 1.199196
O -2.901919 -2.115002 -1.829910
O -0.515902 -0.129403 2.403903
O -2.560684 1.596462 1.536952
O -0.719894 -3.689840 -0.869085
O 2.721705 -1.481637 1.345891
O 3.994448 -3.423682 1.151302
N -1.353593 -0.527093 -0.108984
N 0.372716 -2.729446 0.961155
C -1.833794 -1.852560 0.359464
C -3.131785 -2.266648 -0.380140
C -0.682554 -2.850969 0.094134
C -4.337089 -1.401599 -0.007899
C 0.019775 1.906222 0.387289
C -0.370358 3.243899 0.215696
C 1.275464 1.402880 0.013950
C 1.569445 -3.554286 0.815984
C 1.846251 3.672003 -0.780731
C 0.561275 4.124072 -0.374819
C 2.186129 2.307562 -0.577691
C 2.830382 4.634404 -1.419339
C 2.887409 -2.846263 1.105432
C 3.953777 -0.743903 1.729897
H -2.012552 -1.813353 1.452388
H -3.335451 -3.330410 -0.139574
H -1.830034 -0.200819 -0.970187
H -4.613799 -1.547850 1.051571
H -4.134452 -0.326425 -0.160362
H -5.195415 -1.682518 -0.640244
H 0.355889 -1.952049 1.640537
H -1.363240 3.574480 0.537718
H 1.530756 0.349484 0.170772
H -2.184350 -2.774959 -2.053865
H 1.590987 -3.953585 -0.216135
H 1.539922 -4.439287 1.482733
H 0.286199 5.174694 -0.523175
H 3.171605 1.945337 -0.892191
H 2.423462 5.054984 -2.357679
H 3.046265 5.487152 -0.749409
H 3.787109 4.140905 -1.658490
H 4.392216 -1.192089 2.636400
H 3.615389 0.283922 1.919568
H 4.690704 -0.785096 0.910570


