%chk=000117956.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117956

0 1
 S   -6.692600       2.201600      0.1057000    
 O   -6.225400      0.8458000     -0.6699000    
 O   -7.007800       3.254100      -1.101300    
 O   -5.571300       2.717500      0.8693000    
 O   -7.950200       1.907400      0.7675000    
 C    2.475200     -0.5011000      0.3041000    
 C    3.914400     -0.8453000     -9.0099998E-02
 C    1.462600      -1.579600     -8.7399997E-02
 C    4.916400      0.2648000      0.2348000    
 C   3.4499999E-02  -1.152300      0.2639000    
 C    6.337400     -0.1370000     -0.1676000    
 C  -0.9751000      -2.244100     -9.7900003E-02
 C    7.346800      0.9579000      0.1856000    
 C   -2.420200      -1.877000      0.2547000    
 C    8.770800      0.5393000     -0.1872000    
 C   -3.432000      -2.961200     -0.1318000    
 C    9.817700       1.612900      0.1174000    
 C   -4.879400      -2.590600      0.2117000    
 C    11.23120       1.211600     -0.2753000    
 C   -5.376400      -1.385100     -0.5339000    
 C   -5.776500     -0.2394000      2.7799999E-02
 H    2.428800     -0.3337000       1.387200    
 H    2.194000      0.4455000     -0.1745000    
 H    3.950000      -1.056100      -1.166100    
 H    4.213000      -1.767900      0.4229000    
 H    1.709200      -2.515200      0.4287000    
 H    1.531700      -1.775300      -1.164200    
 H    4.629800       1.184000     -0.2901000    
 H    4.884100      0.4815000       1.309300    
 H  -0.2176000     -0.2281000     -0.2698000    
 H  -3.1900000E-02 -0.9355000       1.336900    
 H    6.372400     -0.3370000      -1.245400    
 H    6.613300      -1.067600      0.3434000    
 H  -0.9105000      -2.452500      -1.173100    
 H  -0.7069000      -3.172700      0.4212000    
 H    7.299800       1.173200       1.259800    
 H    7.085500       1.883000     -0.3421000    
 H   -2.669800     -0.9373000     -0.2518000    
 H   -2.490600      -1.685300       1.332500    
 H    8.807700      0.2991000      -1.257200    
 H    9.032000     -0.3796000      0.3523000    
 H   -3.351900      -3.167900      -1.206500    
 H   -3.176400      -3.892600      0.3882000    
 H    9.554200       2.537000     -0.4110000    
 H    9.799300       1.843600       1.189200    
 H   -4.966900      -2.436400       1.294200    
 H   -5.529800      -3.437800     -3.6699999E-02
 H    11.54400      0.3105000      0.2616000    
 H    11.93540       2.014100     -3.4800000E-02
 H    11.29570       1.011300      -1.349500    
 H   -5.411200      -1.468900      -1.618000    
 H   -5.770600     -9.2000000E-02   1.099300    
 H   -7.308000       4.148000     -0.8132000    


%chk=000117956-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117956

0 1
S -8.037862 1.021247 -0.719405
O -6.199224 1.847832 1.220211
O -9.244992 -0.132221 -1.471232
O -7.084312 -0.483631 0.002274
O -7.046835 1.573153 -1.863709
C 2.574066 -0.171906 0.284959
C 3.946379 -0.707216 -0.182169
C 1.400535 -1.117166 -0.057316
C 5.124517 0.224509 0.180955
C 0.026346 -0.578346 0.400133
C 6.495309 -0.309094 -0.292729
C -1.141056 -1.539749 0.083381
C 7.676712 0.613281 0.083928
C -2.518447 -0.998310 0.528578
C 9.046650 0.080503 -0.393346
C -3.672958 -1.977762 0.213360
C 10.229517 0.999048 -0.010141
C -5.063981 -1.569679 0.754808
C 11.593670 0.458718 -0.491385
C -5.640644 -0.270004 0.119745
C -5.335251 0.981074 0.947072
H 2.600828 -0.004333 1.382197
H 2.392202 0.821459 -0.176225
H 3.925160 -0.859494 -1.281732
H 4.120811 -1.707959 0.266053
H 1.580584 -2.107187 0.411868
H 1.378794 -1.292596 -1.153316
H 4.949126 1.227502 -0.261636
H 5.149237 0.371205 1.281269
H -0.161896 0.402126 -0.085490
H 0.054751 -0.383787 1.492822
H 6.474254 -0.445813 -1.394379
H 6.665678 -1.316787 0.141275
H -1.163217 -1.743849 -1.007514
H -0.956252 -2.516026 0.578347
H 7.699808 0.746835 1.186003
H 7.505984 1.622223 -0.346985
H -2.692145 -0.023577 0.026139
H -2.494159 -0.794544 1.620076
H 9.026945 -0.048272 -1.496030
H 9.216747 -0.930308 0.033567
H -3.739734 -2.123714 -0.884523
H -3.421429 -2.968621 0.642268
H 10.058982 2.008865 -0.436316
H 10.248776 1.126586 1.091634
H -5.039629 -1.470268 1.857394
H -5.793301 -2.368358 0.526017
H 11.801025 -0.536995 -0.055482
H 12.421983 1.132451 -0.204237
H 11.611134 0.351642 -1.592604
H -5.187011 -0.116971 -0.886742
H -4.280528 1.095189 1.286130
H -8.743746 -0.899306 -1.875023


