%chk=000106704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106704

0 1
 S    5.119100       1.360000     -3.4100000E-02
 O    7.299300     -0.3256000       1.400500    
 C   -6.512400     -0.2929000      4.5200001E-02
 C   -5.192500      0.4420000      0.4016000    
 C   -3.901100     -0.2372000     -7.4000001E-02
 C   -2.674600      0.6115000      0.2779000    
 C   -1.353100     -1.6000000E-03 -0.1951000    
 C  -0.1264000      0.8335000      0.1784000    
 C   -7.739400      0.5046000      0.5167000    
 C   -6.582600     -0.4356000      -1.488200    
 C   -6.552400      -1.698300      0.6675000    
 C    1.165600      0.1597000     -0.2900000    
 C    2.392700       1.008900      5.2700002E-02
 C    3.671800      0.3462000     -0.4499000    
 C    6.395800      0.3038000     -0.7561000    
 C    6.762700     -0.8431000      0.1852000    
 C    7.827500      -1.735900     -0.4385000    
 H   -5.229600       1.457100     -1.6799999E-02
 H   -5.142300      0.5666000       1.491700    
 H   -3.796000      -1.223500      0.3902000    
 H   -3.915100     -0.3818000      -1.158600    
 H   -2.782600       1.608300     -0.1675000    
 H   -2.634700      0.7530000       1.365100    
 H   -1.386800     -0.1289000      -1.284200    
 H   -1.251600      -1.004700      0.2376000    
 H  -0.2115000       1.828500     -0.2749000    
 H  -9.4800003E-02  0.9742000       1.265400    
 H   -7.727100      0.6320000       1.604900    
 H   -8.673900     -1.3000000E-03  0.2498000    
 H   -7.758500       1.502500      6.4599998E-02
 H   -5.830200      -1.128400      -1.878200    
 H   -7.558500     -0.8296000      -1.796500    
 H   -6.448800      0.5319000      -1.985100    
 H   -6.433500      -1.647500       1.755500    
 H   -7.508800      -2.192400      0.4608000    
 H   -5.764300      -2.347100      0.2721000    
 H    1.122300     -3.0000001E-04  -1.374300    
 H    1.257700     -0.8273000      0.1795000    
 H    2.281400       2.002000     -0.4006000    
 H    2.440700       1.148300       1.140200    
 H    3.775600     -0.6427000      6.6999998E-03
 H    3.625200      0.2230000      -1.536900    
 H    7.271900      0.9420000     -0.9166000    
 H    6.070800     -6.4800002E-02  -1.734400    
 H    5.885700      -1.451800      0.4298000    
 H    8.748100      -1.174300     -0.6323000    
 H    8.094500      -2.550600      0.2435000    
 H    7.478000      -2.172900      -1.378800    
 H    7.496300      -1.080700       1.980800    


%chk=000106704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106704

0 1
S 5.202960 1.403579 -0.047970
O 7.856281 -0.018126 1.330312
C -6.621850 -0.303527 0.042799
C -5.281022 0.415690 0.397861
C -3.982127 -0.211117 -0.158346
C -2.722151 0.592858 0.238945
C -1.409751 -0.021988 -0.296864
C -0.151013 0.782258 0.099468
C -7.779448 0.484490 0.714877
C -6.850409 -0.317152 -1.492507
C -6.627206 -1.759349 0.581552
C 1.161610 0.160117 -0.428553
C 2.416073 0.973947 -0.029666
C 3.715666 0.332019 -0.543217
C 6.586034 0.277552 -0.673899
C 7.047739 -0.769297 0.348266
C 7.886222 -1.888387 -0.303735
H -5.347815 1.465677 0.040073
H -5.200286 0.470967 1.504749
H -3.874055 -1.250735 0.211447
H -4.033207 -0.272923 -1.264199
H -2.819052 1.633949 -0.134796
H -2.667799 0.665264 1.345660
H -1.464674 -0.095372 -1.403397
H -1.313159 -1.062469 0.078752
H -0.244164 1.820467 -0.282049
H -0.099721 0.861090 1.205485
H -7.656257 0.509381 1.814572
H -8.758460 0.018968 0.492544
H -7.810080 1.530012 0.352860
H -6.078594 -0.910740 -2.015579
H -7.834917 -0.760622 -1.735186
H -6.829958 0.709721 -1.905197
H -6.427526 -1.779791 1.670229
H -7.611254 -2.235279 0.408492
H -5.862691 -2.382709 0.082878
H 1.109807 0.079087 -1.534448
H 1.255779 -0.876649 -0.042599
H 2.329726 2.003899 -0.430331
H 2.463513 1.064933 1.073756
H 3.851900 -0.674206 -0.105209
H 3.705522 0.245686 -1.645483
H 7.433443 0.939686 -0.919626
H 6.230003 -0.204525 -1.601192
H 6.158351 -1.212186 0.847898
H 8.768068 -1.458899 -0.812073
H 8.246407 -2.605364 0.458078
H 7.291838 -2.454358 -1.045485
H 8.041303 -0.596728 2.112349


