%chk=000109128.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109128

0 1
 S   -4.561300      0.3860000      0.1757000    
 O   -4.921500     -0.7236000       1.317000    
 O   -5.124200       1.651600      0.6120000    
 O   -4.886800     -0.1714000      -1.124200    
 C  -0.5469000     -0.2768000     -0.1309000    
 C  -5.5000000E-02  0.9348000      0.3813000    
 C    1.399000       1.268000      0.5111000    
 C   0.3187000      -1.292400     -0.5688000    
 C    1.813200      -1.199500     -0.5399000    
 C    2.004800       1.957100     -0.7249000    
 C    2.455300      -1.709300      0.7627000    
 C   -1.945600     -0.4788000     -0.2072000    
 C    3.487200       2.360600     -0.5915000    
 C    3.996700      -1.675700      0.7924000    
 C   -2.811200      0.5367000      0.2309000    
 C  -0.9295000       1.932900      0.8119000    
 C  -0.1874000      -2.490000      -1.075000    
 C   -2.437500      -1.690400     -0.7193000    
 C   -2.305000       1.734300      0.7369000    
 C    3.659500       3.300100      0.6057000    
 C    4.022800       3.036200      -1.854500    
 C   -1.563000      -2.688500      -1.150000    
 C    4.552500      -2.509000     -0.3662000    
 C    4.565300      -2.192800       2.114700    
 H    1.436700       2.028000       1.308300    
 H    2.048600      0.5481000      0.9755000    
 H    2.147500      -1.905000      -1.317600    
 H    2.278600     -0.3183000     -0.9435000    
 H    1.850700       1.390300      -1.649700    
 H    1.428500       2.878600     -0.9012000    
 H    2.051100      -1.223600       1.657700    
 H    2.147200      -2.758600      0.8908000    
 H    4.085000       1.459300     -0.4156000    
 H    4.330700     -0.6395000      0.6676000    
 H  -0.5648000       2.879000       1.204400    
 H   0.4684000      -3.290100      -1.409200    
 H   -3.489200      -1.943600     -0.7648000    
 H   -2.948400       2.536800       1.084200    
 H    4.684800       3.684700      0.6485000    
 H    3.480700       2.783100       1.553300    
 H    2.983200       4.159500      0.5444000    
 H    3.922900       2.371000      -2.718600    
 H    3.475800       3.959500      -2.073200    
 H    5.083400       3.286200      -1.745300    
 H    5.643200      -2.587600     -0.2949000    
 H    4.335700      -2.048500      -1.334700    
 H    4.144000      -3.525200     -0.3640000    
 H    4.191100      -1.596700       2.953600    
 H    4.281400      -3.236400       2.287600    
 H    5.658500      -2.131200       2.121500    
 H   -1.955600      -3.626400      -1.532100    
 H   -4.669600     -0.4803000       2.238800    


%chk=000109128-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109128

0 1
S -4.561534 0.395240 0.420280
O -4.679372 -1.109305 1.512983
O -5.184579 1.667079 1.202840
O -5.185357 -0.008080 -1.020625
C -0.379300 -0.218052 -0.124050
C 0.101358 0.972851 0.573127
C 1.544867 1.466946 0.601016
C 0.463571 -1.236732 -0.743138
C 1.983041 -1.340941 -0.616108
C 1.951592 2.158631 -0.733934
C 2.429704 -1.909435 0.762431
C -1.835803 -0.417105 -0.212696
C 3.450998 2.553322 -0.805997
C 3.965030 -1.879529 0.990792
C -2.678431 0.529990 0.451556
C -0.817982 1.827485 1.205201
C -0.143136 -2.288428 -1.450292
C -2.389996 -1.518555 -0.940158
C -2.219579 1.619614 1.171939
C 3.840678 3.587487 0.277799
C 3.794559 3.088328 -2.216395
C -1.551100 -2.432641 -1.566262
C 4.729478 -2.736967 -0.046751
C 4.299992 -2.339878 2.429447
H 1.635047 2.206495 1.417128
H 2.265821 0.669178 0.836481
H 2.336539 -2.028742 -1.405722
H 2.495641 -0.384168 -0.806700
H 1.713988 1.486938 -1.582720
H 1.324613 3.062762 -0.874434
H 1.933637 -1.342058 1.575367
H 2.065343 -2.953083 0.853793
H 4.051613 1.632332 -0.632611
H 4.302944 -0.824729 0.878931
H -0.436841 2.707051 1.735014
H 0.503918 -3.039451 -1.918494
H -3.474337 -1.629408 -1.011241
H -2.915962 2.298654 1.672753
H 4.905382 3.870758 0.184138
H 3.689256 3.197836 1.300812
H 3.236604 4.509447 0.170511
H 3.552878 2.345771 -2.999791
H 3.221334 4.009622 -2.436365
H 4.869564 3.333775 -2.298707
H 5.815143 -2.731438 0.162977
H 4.587644 -2.367120 -1.078376
H 4.384671 -3.788746 -0.010852
H 3.784133 -1.716321 3.183498
H 3.984363 -3.389319 2.586635
H 5.386855 -2.282637 2.624758
H -1.970580 -3.269283 -2.134251
H -5.647709 -1.362240 1.556161


