%chk=000031781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031781

0 1
 S    6.475700     -0.6018000      0.2117000    
 O    4.921300     -0.7072000     -0.2930000    
 O    7.102100      -2.057100     -0.1766000    
 O   -4.633300       2.081600     -3.2299999E-02
 O    7.140200      0.3931000     -0.6094000    
 O    6.490400     -0.4812000       1.657800    
 O   -4.381700      -2.661400      0.3610000    
 O   -5.881700     -0.3401000      0.2633000    
 C    2.644000      0.1253000     -0.7012000    
 C    1.873700       1.325900     -0.1105000    
 C    4.083100      0.4322000     -0.2429000    
 C    2.546600       1.594600       1.249400    
 C    2.093900      -1.190100     -0.1177000    
 C    3.936100      0.9603000       1.181000    
 C   0.3781000       1.133100      1.2700000E-02
 C   0.5816000      -1.341600     -0.3213000    
 C    2.572800      8.7899998E-02  -2.237100    
 C  -0.2185000     -7.4500002E-02 -0.1090000    
 C  -0.4117000       2.390400      0.2888000    
 C   -1.703700     -0.1686000     -1.4000000E-03
 C   -1.823500       2.341500     -0.2839000    
 C   -2.481500       1.008200     -5.3399999E-02
 C   -2.377500      -1.394600      0.1302000    
 C   -3.881900      0.9425000      2.3800001E-02
 C   -3.771800      -1.450300      0.2199000    
 C   -4.523700     -0.2830000      0.1682000    
 C   -5.574100       2.182900      -1.097700    
 C   -4.750900      -3.343700     -0.8354000    
 C   -6.424000     -0.9044000       1.455200    
 H    2.057300       2.195700     -0.7582000    
 H    4.516700       1.219000     -0.8746000    
 H    1.982400       1.161100       2.084200    
 H    2.617200       2.672300       1.436100    
 H    2.297100      -1.243700      0.9597000    
 H    2.604100      -2.055000     -0.5600000    
 H    4.716600       1.690600       1.420500    
 H    4.007300      0.1579000       1.924200    
 H   0.2608000      -2.123100      0.3764000    
 H   0.3861000      -1.715000      -1.334200    
 H    3.151000     -0.7535000      -2.634500    
 H    1.544900     -8.8000000E-03  -2.600300    
 H    2.982800       1.005000      -2.675300    
 H  -0.4510000       2.538100       1.375800    
 H   9.4999999E-02   3.267700     -0.1309000    
 H   -1.792300       2.523100      -1.366000    
 H   -2.400800       3.156200      0.1683000    
 H   -1.835300      -2.335400      0.1688000    
 H    6.555200      -2.834500      8.5500002E-02
 H   -5.286500       1.579600      -1.966000    
 H   -5.616100       3.230300      -1.410900    
 H   -6.569500       1.895900     -0.7472000    
 H   -5.236900      -4.283000     -0.5579000    
 H   -3.864300      -3.572000      -1.435400    
 H   -5.456100      -2.744400      -1.419900    
 H   -5.748100     -0.7952000       2.310600    
 H   -6.667800      -1.958200       1.294300    
 H   -7.352900     -0.3742000       1.685500    


%chk=000031781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031781

0 1
S 6.729243 -0.713023 0.147527
O 4.906737 -0.927188 0.110597
O 7.023552 -0.254534 -1.615049
O -4.599394 2.071598 -0.418007
O 7.163159 0.601429 0.951676
O 7.324743 -2.172240 0.434808
O -4.367480 -2.782246 0.497592
O -5.958620 -0.391669 0.097568
C 2.706185 0.001241 -0.453795
C 1.919698 1.263146 0.023921
C 4.130468 0.343038 0.089516
C 2.517456 1.626732 1.436732
C 2.105775 -1.245730 0.248573
C 3.942831 0.988787 1.481352
C 0.413708 1.086703 0.025951
C 0.610764 -1.432642 -0.089647
C 2.709864 -0.164233 -1.986841
C -0.200457 -0.142154 -0.029050
C -0.421995 2.355064 0.161870
C -1.687583 -0.232050 -0.020817
C -1.757215 2.245170 -0.600307
C -2.465828 0.941260 -0.275283
C -2.359638 -1.463699 0.195976
C -3.879056 0.868356 -0.254634
C -3.765582 -1.532884 0.208171
C -4.543937 -0.360288 0.022290
C -5.603913 2.098453 -1.503085
C -5.253044 -3.309099 -0.566141
C -6.469613 -0.608105 1.474190
H 2.166065 2.098017 -0.668104
H 4.624841 1.040680 -0.616849
H 1.877560 1.209856 2.234206
H 2.547306 2.720457 1.581835
H 2.212289 -1.134812 1.344439
H 2.673073 -2.150398 -0.035344
H 4.737595 1.721840 1.694749
H 4.001402 0.203859 2.256329
H 0.194438 -2.170346 0.622765
H 0.491083 -1.892844 -1.092805
H 3.296823 -1.052743 -2.283393
H 1.683858 -0.285426 -2.375426
H 3.152374 0.720617 -2.482505
H -0.624382 2.545441 1.238610
H 0.148222 3.230042 -0.205334
H -1.551075 2.277775 -1.692301
H -2.415935 3.099630 -0.374991
H -1.815815 -2.396310 0.365134
H 6.976666 -1.099831 -2.151177
H -5.111703 1.949591 -2.483999
H -6.048398 3.104707 -1.457811
H -6.374105 1.326011 -1.341807
H -5.657001 -4.252900 -0.168831
H -4.667335 -3.507705 -1.484179
H -6.069833 -2.599102 -0.786740
H -6.160744 0.228770 2.127129
H -6.094633 -1.566181 1.877334
H -7.566462 -0.631489 1.382218


