%chk=000000699.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000699

0 1
 S    4.829100      0.8398000     -0.6910000    
 O   -5.006400       1.654500      0.4973000    
 O    4.312600     -0.3527000      0.3167000    
 O    6.428500      0.5535000     -0.8469000    
 O    4.214000      0.6570000      -1.992800    
 O    4.681400       2.102900      8.7000001E-03
 C   -2.352000     -0.2482000     -0.8912000    
 C   -2.771200       1.135700     -0.3280000    
 C   -2.089100      -1.344500      0.1867000    
 C   -1.270300     -0.8417000       1.396100    
 C   -2.086200       1.528900      0.9833000    
 C   -3.544200     -0.6413000      -1.786000    
 C   -1.981800      0.3868000       1.983900    
 C   -1.402500      -2.594800     -0.3850000    
 C   -4.277500      0.9476000     -0.1881000    
 C   -4.787100     -0.2087000      -1.012800    
 C   -2.553900       2.260800      -1.357200    
 C   0.2148000     -0.6893000       1.084900    
 C   6.6000000E-03  -2.303100     -0.8897000    
 C   0.8064000      -1.409100      2.4700001E-02
 C    1.048100      9.7400002E-02   1.900000    
 C    2.183000      -1.276800     -0.2294000    
 C    2.415500      0.2136000       1.642200    
 C    2.982300     -0.4684000      0.5735000    
 H   -1.458200     -0.1255000      -1.512300    
 H   -3.060300      -1.674400      0.5813000    
 H   -1.313800      -1.624300       2.168700    
 H   -2.624500       2.359300       1.457900    
 H   -1.077400       1.904800      0.7709000    
 H   -3.579200      -1.705500      -2.034000    
 H   -3.492800     -9.9299997E-02  -2.738100    
 H   -1.487200      0.7407000       2.894400    
 H   -2.993000      9.5799997E-02   2.298600    
 H   -1.994200      -3.044500      -1.189300    
 H   -1.345300      -3.354500      0.4067000    
 H   -5.140700     -0.9977000     -0.3437000    
 H   -5.586500      0.1121000      -1.684500    
 H   -1.495400       2.346400      -1.626500    
 H   -3.123300       2.103300      -2.279200    
 H   -2.876800       3.227100     -0.9515000    
 H  -4.4300001E-02  -1.831700      -1.878500    
 H   0.5319000      -3.257900      -1.018000    
 H   0.6506000      0.6323000       2.757400    
 H    2.632600      -1.817400      -1.059900    
 H    3.030600      0.8358000       2.286700    
 H    6.909000      0.3779000     -4.0000002E-03


%chk=000000699-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000699

0 1
S 5.112149 1.173860 -0.862651
O -4.982036 1.707573 0.694538
O 4.334672 -0.518958 0.203138
O 6.732279 0.758074 -0.104215
O 5.326614 1.128699 -2.461087
O 4.499890 2.515280 -0.193947
C -2.393880 -0.294928 -0.875129
C -2.776274 1.110251 -0.299239
C -2.139560 -1.381107 0.218159
C -1.270484 -0.870843 1.405194
C -2.027593 1.534817 0.984118
C -3.635350 -0.678062 -1.751407
C -1.923519 0.395635 2.016520
C -1.494322 -2.663795 -0.361940
C -4.304835 0.991702 -0.081827
C -4.860130 -0.130009 -0.973831
C -2.581886 2.216875 -1.385514
C 0.209323 -0.730860 1.031959
C -0.088660 -2.388795 -0.938115
C 0.768889 -1.484811 -0.056763
C 1.072357 0.103120 1.805841
C 2.141687 -1.369511 -0.338969
C 2.440329 0.212502 1.532675
C 2.998979 -0.545540 0.452681
H -1.487878 -0.193654 -1.501685
H -3.122737 -1.658637 0.654142
H -1.308007 -1.668315 2.183405
H -2.566238 2.393722 1.427489
H -1.013370 1.887335 0.711966
H -3.703577 -1.766219 -1.922048
H -3.565525 -0.201491 -2.745356
H -1.380482 0.742903 2.914302
H -2.937871 0.119310 2.366056
H -2.131218 -3.111788 -1.147129
H -1.419742 -3.413897 0.450362
H -5.318262 -0.894420 -0.316645
H -5.674399 0.252851 -1.614517
H -1.511814 2.286180 -1.654767
H -3.154706 2.015719 -2.308364
H -2.906322 3.196417 -0.991338
H -0.176639 -1.919330 -1.938723
H 0.441959 -3.345032 -1.106648
H 0.653799 0.678272 2.636933
H 2.591591 -1.927386 -1.168889
H 3.095695 0.862964 2.120002
H 6.499004 0.076027 0.594262


