%chk=000162955.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162955

0 1
 S    7.120600      0.7265000     -0.5334000    
 O    3.106800     -0.2942000      -1.930800    
 O  -0.2341000       2.131000       1.257000    
 O    4.304000       1.644800      8.5600004E-02
 O   -6.430700     -1.7000000E-03  -1.358600    
 C    1.880400      0.1468000      0.1542000    
 C   0.9810000      -1.087400     -7.4100003E-02
 C  -0.4224000     -0.9467000      0.5343000    
 C   -1.130300      0.2885000     -0.1117000    
 C    3.188800     -0.3635000     -0.5104000    
 C    1.198500       1.348800     -0.5309000    
 C   -2.629400      0.4608000      0.3685000    
 C  -0.2522000       1.577200     -5.0999999E-02
 C    1.861900      -2.253700      0.3660000    
 C    3.282400      -1.844400     -7.6499999E-02
 C   -1.242500      -2.222400      0.2859000    
 C    2.142400      0.4453000       1.656400    
 C   -3.362400     -0.8798000      0.2230000    
 C   -2.667500      -2.088400      0.8009000    
 C   -3.303500       1.536000     -0.5330000    
 C   -2.759600      0.8925000       1.846700    
 C    4.402800      0.4424000     -0.1546000    
 C   -4.822000       1.526900     -0.4587000    
 C   -4.572400      -1.019600     -0.3438000    
 C   -5.350500      0.1573000     -0.7941000    
 C    5.709700     -0.3231000     -0.1167000    
 H   0.8332000      -1.214200      -1.159600    
 H  -0.3483000     -0.8074000       1.617200    
 H   -1.190700      4.8300002E-02  -1.186900    
 H    1.163500       1.191900      -1.616000    
 H    1.788700       2.257500     -0.3639000    
 H  -0.6952000       2.338000     -0.7035000    
 H    1.560200      -3.196500     -0.1016000    
 H    1.824300      -2.394900       1.452200    
 H    3.954900      -2.011500      0.7711000    
 H    3.611400      -2.490400     -0.8986000    
 H  -0.7694000      -3.076400      0.7847000    
 H   -1.262400      -2.454100     -0.7872000    
 H    2.580000       1.438800       1.799600    
 H    1.231500      0.4245000       2.258300    
 H    2.825100     -0.2773000       2.116000    
 H   -2.657000      -2.006200       1.894700    
 H   -3.213500      -3.011100      0.5688000    
 H   -3.016000       1.368300      -1.580500    
 H   -2.946000       2.539200     -0.2713000    
 H   -2.102100      0.3173000       2.506000    
 H   -2.527800       1.952900       1.985300    
 H   -3.782500      0.7531000       2.217900    
 H    3.863100     -0.7748000      -2.308000    
 H   -5.221900       2.242200      -1.185900    
 H   -5.183500       1.811600      0.5344000    
 H   0.2813000       2.954700       1.223800    
 H   -5.054000      -1.987100     -0.4373000    
 H    5.699800      -1.132100     -0.8508000    
 H    5.853700     -0.7370000      0.8847000    
 H    6.984300       1.583100      0.4895000    


%chk=000162955-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162955

0 1
S 7.321522 0.832536 -0.226874
O 3.029405 -0.482045 -1.820221
O -0.322023 2.173629 1.295336
O 4.432894 1.635771 0.284798
O -6.416860 0.172431 -1.640584
C 1.886520 0.117861 0.294124
C 0.992802 -1.147887 0.102640
C -0.438135 -0.989617 0.653790
C -1.110425 0.235002 -0.046464
C 3.217181 -0.417911 -0.336090
C 1.228408 1.290481 -0.463593
C -2.625689 0.455845 0.370505
C -0.245430 1.529294 -0.041788
C 1.884007 -2.309623 0.616094
C 3.344672 -1.859552 0.261394
C -1.259322 -2.269584 0.358774
C 2.119411 0.450793 1.796939
C -3.376774 -0.863683 0.113997
C -2.759854 -2.118115 0.703462
C -3.218517 1.595310 -0.514601
C -2.815176 0.805539 1.883268
C 4.475816 0.468662 -0.180946
C -4.760405 1.618390 -0.553560
C -4.576223 -0.920603 -0.550032
C -5.329919 0.270186 -0.990982
C 5.779446 -0.116487 -0.743105
H 0.889427 -1.276482 -0.997295
H -0.405510 -0.822963 1.748824
H -1.155003 -0.039638 -1.127424
H 1.252298 1.065545 -1.546556
H 1.804992 2.226721 -0.319813
H -0.684650 2.235839 -0.777894
H 1.626985 -3.274965 0.146833
H 1.772393 -2.435438 1.708834
H 3.987986 -1.855326 1.159693
H 3.829592 -2.544299 -0.463025
H -0.840220 -3.126814 0.920178
H -1.159094 -2.510267 -0.720441
H 2.691670 1.387638 1.893765
H 1.157142 0.581856 2.314926
H 2.689379 -0.339389 2.318573
H -2.862522 -2.072359 1.808296
H -3.323571 -3.009661 0.372545
H -2.849749 1.467320 -1.553514
H -2.842061 2.568699 -0.150616
H -2.363154 0.044688 2.543099
H -2.333493 1.767487 2.110211
H -3.891639 0.860165 2.129220
H 3.401602 -1.335328 -2.158682
H -5.137706 2.401681 -1.234430
H -5.170552 1.845763 0.451713
H 0.394703 2.855891 1.344864
H -5.065058 -1.886729 -0.733961
H 5.706477 -0.100256 -1.845755
H 5.906736 -1.162463 -0.419089
H 6.599765 1.976763 0.103940


