%chk=000131027.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131027

0 1
 S   -1.833000       1.669100     -0.1270000    
 S   -7.107700      7.6300003E-02  5.6000002E-02
 S    7.540400      0.2259000     -8.0700003E-02
 O   -1.823000       2.224800      -1.461500    
 O   -1.801800       2.446900       1.090900    
 O   -7.542500      1.4800000E-02  -1.518500    
 O   -7.766900      -1.036500      0.7229000    
 O   -7.296300       1.440100      0.5244000    
 O    8.068000     -0.3893000       1.339200    
 O    8.070600     -0.6256000      -1.135500    
 O    7.804100       1.656300     -7.9000004E-02
 C  -0.5874000      0.4363000     -3.0600000E-02
 C   -3.152600      0.5171000     -1.6200000E-02
 C   -1.178500     -0.8357000      8.4200002E-02
 C   -2.641400     -0.7896000      9.2699997E-02
 C   0.7718000      0.6664000     -6.2600002E-02
 C   -4.494900      0.8323000     -3.2200001E-02
 C  -0.3406000      -1.938000      0.1721000    
 C    1.596900     -0.4516000      2.6699999E-02
 C   -3.545900      -1.837000      0.1919000    
 C   -5.387600     -0.2315000      6.8000004E-02
 C    1.047500      -1.741000      0.1429000    
 C   -4.919100      -1.553100      0.1790000    
 C    3.034700     -0.2874000      3.0000001E-04
 C    3.841600      -1.295900     -0.5257000    
 C    3.612400      0.8788000      0.5015000    
 C    5.805600      2.8300000E-02 -4.9300000E-02
 C    5.227400      -1.138000     -0.5505000    
 C    4.998100       1.036700      0.4766000    
 H    1.139900       1.678800     -0.1812000    
 H   -4.822700       1.860800     -0.1257000    
 H  -0.7359000      -2.944200      0.2697000    
 H   -3.214100      -2.867000      0.2769000    
 H    1.669800      -2.626700      0.2476000    
 H   -5.615600      -2.385000      0.2496000    
 H    3.435900      -2.207500     -0.9554000    
 H    3.026300       1.676500      0.9495000    
 H    5.837000      -1.936100     -0.9648000    
 H    5.427000       1.947200      0.8856000    
 H   -7.395200     -0.8523000      -1.964300    
 H    7.882900      -1.347600       1.479600    


%chk=000131027-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131027

0 1
S -1.896002 1.844056 -0.188002
S -7.319078 -0.088873 0.083172
S 7.744637 0.142251 -0.111877
O -1.892192 2.518343 -1.671826
O -1.856752 2.814796 1.121126
O -7.503035 -0.249225 -1.754663
O -8.035726 -1.350297 0.797262
O -7.664346 1.428362 0.517975
O 8.055875 -0.678176 1.526102
O 8.361420 -0.785817 -1.284149
O 8.145172 1.704391 0.007592
C -0.599740 0.454761 -0.049855
C -3.270738 0.521958 -0.031862
C -1.226329 -0.803139 0.087203
C -2.706619 -0.769525 0.097715
C 0.775411 0.658119 -0.086547
C -4.638399 0.791479 -0.053643
C -0.381528 -1.932386 0.196424
C 1.623258 -0.483574 0.025045
C -3.585849 -1.871400 0.227193
C -5.460920 -0.343709 0.074342
C 1.017549 -1.765679 0.165257
C -4.980844 -1.657405 0.212880
C 3.104490 -0.333817 -0.002294
C 3.922411 -1.342014 -0.585421
C 3.725559 0.822946 0.547133
C 5.883731 -0.054893 -0.053092
C 5.325147 -1.212635 -0.615562
C 5.126696 0.972569 0.530104
H 1.194957 1.658588 -0.230089
H -5.055947 1.799345 -0.146083
H -0.804462 -2.935161 0.314826
H -3.196177 -2.887971 0.335220
H 1.655761 -2.647111 0.284617
H -5.685479 -2.487786 0.321240
H 3.461972 -2.219969 -1.049540
H 3.117007 1.597904 1.024288
H 5.962377 -1.971274 -1.080161
H 5.613763 1.858485 0.948699
H -8.462690 -0.080764 -1.987580
H 9.040859 -0.638954 1.703933


