%chk=000106888.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106888

0 1
 S    3.770100       1.206200      0.1804000    
 O  -6.6600002E-02  0.4253000     -0.2310000    
 O    3.357700       2.779700      0.2888000    
 O    1.191900       1.076500       1.585900    
 O    4.841100       1.067000     -0.7865000    
 O    3.871500      0.6550000       1.517400    
 C   -2.472100      9.7000003E-02 -0.2847000    
 C   -3.701100     -5.1300000E-02  0.6369000    
 C   -2.689000       1.053600      -1.478600    
 C   -1.246300      0.4832000      0.5593000    
 C   -4.946800     -0.5792000     -8.2099997E-02
 C    2.264300      0.6303000     -0.5538000    
 C    2.426900     -0.7833000      -1.121500    
 C   -6.164600     -0.7065000      0.8372000    
 C    2.732500      -1.859700     -7.2600000E-02
 C    1.101200      0.7495000      0.4099000    
 C   -3.002100       2.495700      -1.103900    
 C    2.938400      -3.226000     -0.7299000    
 C   -7.411700      -1.205500      0.1237000    
 C    3.204900      -4.307400      0.3051000    
 H   -2.262100     -0.8890000     -0.7231000    
 H   -3.455200     -0.7464000       1.450300    
 H   -3.931100      0.9087000       1.114300    
 H   -3.489000      0.6716000      -2.122200    
 H   -1.788000       1.051200      -2.105100    
 H   -1.139000     -0.2279000       1.388100    
 H   -1.362500       1.485900      0.9857000    
 H   -4.723000      -1.556300     -0.5270000    
 H   -5.217300      9.2600003E-02 -0.9037000    
 H    2.069600       1.315300      -1.389200    
 H    1.511900      -1.067000      -1.657000    
 H    3.228100     -0.7809000      -1.871400    
 H    1.912000      -1.919300      0.6516000    
 H    3.642900      -1.615200      0.4818000    
 H   -6.382800      0.2688000       1.288600    
 H   -5.928200      -1.392000       1.659700    
 H   -3.921800       2.568800     -0.5167000    
 H   -3.143300       3.091400      -2.011900    
 H   -2.187100       2.953200     -0.5365000    
 H    2.048800      -3.497600      -1.310100    
 H    3.781300      -3.180300      -1.429200    
 H   -8.247900      -1.279300      0.8259000    
 H   -7.701000     -0.5221000     -0.6808000    
 H   -7.242300      -2.195800     -0.3108000    
 H    2.364600      -4.400700       1.000400    
 H    3.348500      -5.275000     -0.1860000    
 H    4.106700      -4.083100      0.8837000    
 H    3.338400       3.273700     -0.5645000    


%chk=000106888-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000106888

0 1
S 2.070059 0.847753 -0.924398
O -0.673084 -0.769053 -0.794152
O 1.090510 1.513899 -2.371932
O 0.521652 -2.284034 0.520794
O 3.636547 1.135139 -1.209340
O 1.428871 1.377781 0.462421
C -2.985062 -0.021432 -0.510160
C -4.272584 -0.213045 0.341747
C -2.540203 1.460910 -0.672734
C -1.878198 -0.900190 0.087403
C -5.523458 0.484835 -0.238896
C 1.603194 -1.079173 -1.351688
C 2.888997 -1.891950 -1.290783
C -6.814453 0.143047 0.540131
C 3.610967 -1.976647 0.075543
C 0.460233 -1.460536 -0.419671
C -2.181451 2.195715 0.639138
C 4.862841 -2.879553 -0.005715
C -8.063392 0.850487 -0.028395
C 5.620281 -2.954191 1.336941
H -3.197639 -0.410709 -1.528911
H -4.486275 -1.299952 0.427513
H -4.099649 0.148860 1.376061
H -3.350560 2.008465 -1.191872
H -1.663231 1.484121 -1.347039
H -2.164333 -1.967583 0.119541
H -1.581781 -0.583743 1.104102
H -5.649526 0.190060 -1.301982
H -5.381499 1.583922 -0.233952
H 1.219699 -0.906902 -2.371290
H 2.610453 -2.917401 -1.616880
H 3.588475 -1.497349 -2.052536
H 2.917876 -2.362756 0.842769
H 3.925886 -0.961214 0.387661
H -6.682174 0.422274 1.605523
H -6.969960 -0.955224 0.524228
H -3.013398 2.178337 1.367449
H -1.948714 3.255894 0.430129
H -1.285405 1.761729 1.117994
H 4.560705 -3.900878 -0.316916
H 5.542859 -2.496988 -0.794047
H -8.972733 0.588864 0.543178
H -7.946775 1.950178 0.007129
H -8.234065 0.565977 -1.083973
H 4.971267 -3.358921 2.135863
H 6.510939 -3.604346 1.261564
H 5.958982 -1.950841 1.655777
H 1.189708 2.509762 -2.368438


