%chk=000117520.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117520

0 1
 S   -5.236500       1.217500     -7.9700001E-02
 O   -3.811200      0.4231000      7.1000000E-03
 O   -5.355400       1.836000      -1.385700    
 O   -5.393000       1.987100       1.140100    
 C    4.967300      0.4478000      5.3900000E-02
 C    3.601900     -0.2407000      0.1363000    
 C    6.145600     -0.5282000      0.1098000    
 C    2.423500      0.7323000      5.5599999E-02
 C    7.481100      0.2136000      1.1500000E-02
 C    1.086900     -1.1100000E-02  0.1113000    
 C    8.697300     -0.7172000      3.2000002E-02
 C  -9.3000002E-02  0.9611000      6.4599998E-02
 C    10.06270     -3.1599998E-02 -8.4700003E-02
 C   -1.426700      0.2175000      8.6700000E-02
 C    11.27790     -0.9586000     -8.0000004E-03
 C   -2.605900       1.175800     -2.9000000E-03
 C    12.60250     -0.2398000     -0.2114000    
 C   -6.447400     -6.6100001E-02 -3.8699999E-02
 C   -6.960100     -0.5026000       1.183100    
 C   -6.891700     -0.6442000      -1.227800    
 C   -7.916600      -1.517400       1.215600    
 C   -7.848400      -1.658900      -1.195300    
 C   -8.360700      -2.095400      2.6500000E-02
 H    5.020100       1.023900     -0.8783000    
 H    5.054300       1.168500      0.8766000    
 H    3.542100     -0.8057000       1.074800    
 H    3.522400     -0.9714000     -0.6784000    
 H    6.108500      -1.098100       1.045800    
 H    6.064000      -1.248900     -0.7126000    
 H    2.484400       1.448100      0.8842000    
 H    2.486000       1.308300     -0.8755000    
 H    7.563400      0.9263000      0.8414000    
 H    7.502100      0.8019000     -0.9142000    
 H    1.022000     -0.7105000     -0.7311000    
 H    1.033900     -0.6065000       1.030900    
 H    8.677400      -1.297800      0.9630000    
 H    8.601500      -1.442500     -0.7858000    
 H  -3.9700001E-02   1.647500      0.9183000    
 H  -2.8500000E-02   1.570700     -0.8450000    
 H    10.09400      0.5162000      -1.035100    
 H    10.14610      0.7222000      0.7085000    
 H   -1.477600     -0.4959000     -0.7454000    
 H   -1.512700     -0.3821000       1.001400    
 H    11.28860      -1.460900      0.9664000    
 H    11.18210      -1.742500     -0.7685000    
 H   -2.553700       1.759600     -0.9284000    
 H   -2.602000       1.864700      0.8489000    
 H    12.64000      0.2391000      -1.195000    
 H    13.43400     -0.9483000     -0.1450000    
 H    12.74880      0.5311000      0.5518000    
 H   -6.623400     -7.2099999E-02   2.121800    
 H   -6.501100     -0.3266000      -2.190300    
 H   -8.314400      -1.858800       2.166800    
 H   -8.193000      -2.110700      -2.120900    
 H   -9.104800      -2.886200      5.1899999E-02


%chk=000117520-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117520

0 1
S -5.443330 1.368965 -0.083756
O -3.880952 0.348873 0.000378
O -5.530400 2.064688 -1.546194
O -5.545924 2.276385 1.256632
C 5.017113 0.446902 -0.007184
C 3.654819 -0.282517 0.004158
C 6.227968 -0.512988 0.003943
C 2.447238 0.681446 -0.013475
C 7.588859 0.219231 -0.003612
C 1.083529 -0.045192 0.003502
C 8.801576 -0.738589 0.003593
C -0.118010 0.926213 -0.023899
C 10.161946 -0.005232 -0.001682
C -1.480178 0.190654 0.001261
C 11.374882 -0.963518 0.003782
C -2.650867 1.182344 -0.041238
C 12.729870 -0.223023 -0.001023
C -6.641904 -0.071386 0.017643
C -7.071503 -0.476746 1.291014
C -7.069902 -0.652404 -1.186322
C -7.994390 -1.546120 1.354155
C -7.993029 -1.719923 -1.099062
C -8.448064 -2.164821 0.164948
H 5.075542 1.099126 -0.903841
H 5.077552 1.122661 0.871717
H 3.594048 -0.930922 0.903366
H 3.595370 -0.961237 -0.872466
H 6.169259 -1.167230 0.899148
H 6.169829 -1.186793 -0.876657
H 2.510050 1.363030 0.860606
H 2.507545 1.326643 -0.914949
H 7.647705 0.891154 0.878368
H 7.646261 0.875752 -0.897224
H 1.021751 -0.730577 -0.867280
H 1.019314 -0.684225 0.908706
H 8.743934 -1.396280 0.896397
H 8.744038 -1.409331 -0.879450
H -0.051997 1.614597 0.843882
H -0.054781 1.559795 -0.932726
H 10.220880 0.653291 -0.893768
H 10.221648 0.664501 0.881957
H -1.556038 -0.496110 -0.863018
H -1.560632 -0.425158 0.917112
H 11.314871 -1.621391 0.895017
H 11.314367 -1.632005 -0.879476
H -2.635152 1.777231 -0.975527
H -2.631370 1.861030 0.833727
H 12.827629 0.418276 -0.897464
H 13.579594 -0.930523 0.002473
H 12.828546 0.428197 0.888129
H -6.712545 0.033561 2.190208
H -6.709105 -0.274187 -2.147933
H -8.355746 -1.891856 2.327938
H -8.353304 -2.199548 -2.014761
H -9.163510 -2.992115 0.223128


