%chk=000152971.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152971

0 1
 S   -5.394700      -1.340000      0.6739000    
 O    4.051100      -1.644500       1.438800    
 O   -4.488500      1.7800000E-02  0.6671000    
 O    6.322000     -2.5500000E-02 -0.5353000    
 O   -5.479200      -1.737200       2.253800    
 O   -6.731000     -0.9721000      0.2438000    
 O   -4.672400      -2.394300     -1.3300000E-02
 C    3.032400     -0.1495000     -0.2528000    
 C    2.181100      0.5469000      0.8321000    
 C   0.8736000       1.143700      0.2962000    
 C   2.6000001E-02  3.0999999E-02 -0.3840000    
 C   -1.314400      0.6123000     -0.9900000    
 C    4.278300     -0.5211000      0.5937000    
 C    2.193500      -1.314400     -0.8041000    
 C   0.8530000     -0.8261000      -1.380000    
 C    3.170100       1.482400       1.521400    
 C    4.505600      0.7130000       1.495600    
 C   7.0299998E-02   1.798300       1.430400    
 C   -1.987100       1.575800     -3.1000001E-03
 C    3.441100      0.7996000      -1.413300    
 C   -2.276300     -0.5788000      -1.273500    
 C   -1.354200       2.076800       1.072400    
 C   -1.048300       1.382800      -2.305600    
 C   -3.428900       1.956800     -0.2742000    
 C    5.505800     -0.8784000     -0.1900000    
 C   -3.709300     -0.1645000      -1.619500    
 C   -4.311100      0.7414000     -0.5493000    
 C    5.691400      -2.332200     -0.5311000    
 H    1.894900     -0.2072000       1.584000    
 H    1.107600       1.924700     -0.4362000    
 H  -0.2625000     -0.6611000      0.4242000    
 H    1.985200      -2.048500     -1.5900001E-02
 H    2.743900      -1.846000      -1.588400    
 H    1.051100     -0.2691000      -2.300000    
 H   0.2738000      -1.707800      -1.676800    
 H    2.866000       1.714600       2.547200    
 H    3.265600       2.432100      0.9830000    
 H    5.287500       1.386600       1.128800    
 H    4.783300      0.4260000       2.516500    
 H   0.5525000       2.742300       1.711800    
 H   7.4100003E-02   1.162000       2.324200    
 H    4.084900       1.619800      -1.080100    
 H    3.990000      0.2482000      -2.185500    
 H    2.582800       1.260500      -1.908900    
 H   -2.303200      -1.241200     -0.3994000    
 H   -1.891800      -1.184400      -2.103100    
 H   -1.888700       2.739500       1.748800    
 H  -0.2836000       2.155600      -2.176100    
 H  -0.7167000      0.7134000      -3.105900    
 H   -1.943200       1.888400      -2.683200    
 H   -3.844800       2.511700      0.5765000    
 H   -3.458500       2.633400      -1.136300    
 H   -3.691300      0.3918000      -2.565700    
 H   -4.319700      -1.042000      -1.839200    
 H   -5.296300       1.093100     -0.8781000    
 H    4.781600      -1.706000       2.077900    
 H    6.036300      -2.883400      0.3471000    
 H    4.765300      -2.765700     -0.9123000    
 H    6.448600      -2.420600      -1.316100    
 H   -4.620100      -1.725100       2.737600    


%chk=000152971-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000152971

0 1
S -5.710834 -1.487395 0.676262
O 3.961505 -1.688130 1.382983
O -4.490563 -0.088644 0.701186
O 6.440343 0.007311 -0.612353
O -5.896186 -1.382143 2.482017
O -7.043237 -1.015718 -0.087991
O -5.055016 -2.909408 0.345576
C 3.100328 -0.103959 -0.281965
C 2.238482 0.573620 0.831239
C 0.904951 1.154431 0.322051
C 0.076917 0.029486 -0.378729
C -1.278655 0.570851 -0.976441
C 4.368176 -0.505406 0.583581
C 2.281336 -1.276200 -0.870336
C 0.920272 -0.766462 -1.417430
C 3.232235 1.510227 1.560570
C 4.595066 0.743369 1.495845
C 0.093227 1.754195 1.494489
C -1.981081 1.484410 0.047236
C 3.532124 0.884836 -1.398235
C -2.220035 -0.650368 -1.263404
C -1.358515 1.988233 1.145941
C -1.044570 1.374640 -2.294593
C -3.435254 1.843242 -0.228688
C 5.605420 -0.873610 -0.266676
C -3.657018 -0.256029 -1.661916
C -4.324252 0.634357 -0.602071
C 5.775227 -2.330772 -0.672392
H 1.980869 -0.244090 1.538993
H 1.108509 1.967420 -0.405833
H -0.203817 -0.685563 0.428633
H 2.115474 -2.029784 -0.078585
H 2.829969 -1.774659 -1.694547
H 1.107080 -0.137873 -2.308147
H 0.340100 -1.640266 -1.770485
H 2.922741 1.718081 2.599720
H 3.306916 2.483969 1.039732
H 5.399894 1.364365 1.067487
H 4.933548 0.423900 2.500671
H 0.553738 2.705747 1.828922
H 0.154080 1.070031 2.370404
H 4.219646 1.664460 -1.029978
H 4.056232 0.351579 -2.212194
H 2.656908 1.387813 -1.841620
H -2.266094 -1.284028 -0.356679
H -1.785069 -1.269140 -2.069925
H -1.939685 2.609099 1.845065
H -0.264558 2.144219 -2.155671
H -0.733084 0.710429 -3.120934
H -1.960030 1.897648 -2.624981
H -3.873391 2.373354 0.635821
H -3.509050 2.535694 -1.094503
H -3.659567 0.306002 -2.616512
H -4.265543 -1.164543 -1.837592
H -5.325941 0.975670 -0.929191
H 4.561505 -1.756144 2.168298
H 6.251423 -2.895698 0.152437
H 4.803773 -2.815942 -0.859243
H 6.432189 -2.391454 -1.555025
H -5.524654 -0.483662 2.730204


