%chk=000238673.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238673

0 1
S 0.374605 -0.075112 -0.054609
O 4.045992 -1.076810 -0.957583
O 3.221206 0.380030 0.663804
C 1.741846 -1.078912 -0.693984
C 2.971847 -0.184970 -0.611611
C -1.052720 -0.754327 -0.968989
C -2.227812 -0.009977 -0.424843
C -2.618002 1.210729 -0.999571
C -2.948613 -0.525639 0.664679
C -3.720186 1.902522 -0.491214
C -4.050020 0.171405 1.167587
C -4.439151 1.384580 0.590805
C 5.330361 -0.439704 -1.109177
C 3.371653 -0.532493 1.772363
H 1.872263 -2.001268 -0.096140
H 1.575225 -1.410722 -1.734836
H 2.953874 0.715106 -1.263258
H -1.134456 -1.845313 -0.807939
H -0.926347 -0.600007 -2.056903
H -2.057342 1.624128 -1.836269
H -2.645775 -1.464783 1.124183
H -4.017927 2.849582 -0.938457
H -4.605159 -0.231250 2.013272
H -5.297004 1.925405 0.984600
H 5.337064 0.164732 -2.020438
H 6.017443 -1.288921 -1.194377
H 5.560667 0.168131 -0.227347
H 2.383010 -0.860507 2.107399
H 3.854896 0.090597 2.533098
H 4.004262 -1.379633 1.490357


%chk=000238673-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238673

0 1
S 0.465211 0.222632 0.116142
O 4.143060 -1.058638 -1.113076
O 3.536012 0.283200 0.808371
C 1.825275 -0.835966 -0.667154
C 3.176150 -0.123231 -0.543602
C -1.030640 -0.706672 -0.643687
C -2.312897 0.007686 -0.288841
C -2.740372 1.133606 -1.040172
C -3.106137 -0.424550 0.804822
C -3.936093 1.807928 -0.710362
C -4.303694 0.248365 1.137268
C -4.722560 1.366461 0.379844
C 5.467246 -0.452255 -1.326059
C 3.496681 -0.796573 1.811822
H 1.862175 -1.823571 -0.178295
H 1.592804 -0.971226 -1.736501
H 3.182918 0.838094 -1.096402
H -1.016207 -1.737248 -0.251117
H -0.864978 -0.729043 -1.734868
H -2.128559 1.482714 -1.880641
H -2.782334 -1.289467 1.396541
H -4.254769 2.674844 -1.300036
H -4.907496 -0.098648 1.983333
H -5.651224 1.888547 0.636314
H 5.409644 0.370352 -2.068173
H 6.107660 -1.258427 -1.715596
H 5.880798 -0.058773 -0.379177
H 2.452195 -1.069955 2.056591
H 3.982536 -0.377471 2.706232
H 4.053294 -1.686119 1.461080


