%chk=000094118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094118

0 1
 S    5.845300      0.5216000      0.8460000    
 S   -5.990100      0.5945000     -0.8307000    
 O    7.908100     -0.1100000      -1.349000    
 O   -7.486900      -2.065000     -0.4327000    
 C   0.5784000      0.9088000      0.2436000    
 C  -0.7333000      0.2260000     -0.1502000    
 C    1.791700     -2.4100000E-02  0.1882000    
 C   -1.915000       1.194600     -4.6500001E-02
 C    3.115000      0.6766000      0.5107000    
 C   -3.231700      0.5029000     -0.4154000    
 C    4.276900     -0.3135000      0.4716000    
 C   -4.450600       1.421100     -0.3336000    
 C    6.942300     -0.9084000      0.7116000    
 C   -6.321000     -0.2899000      0.7102000    
 C    7.268200      -1.223700     -0.7398000    
 C   -7.597200      -1.111400      0.6158000    
 H   0.7523000       1.762400     -0.4235000    
 H   0.4877000       1.314400       1.258900    
 H  -0.9053000     -0.6370000      0.5043000    
 H  -0.6554000     -0.1551000      -1.175400    
 H    1.855900     -0.4684000     -0.8130000    
 H    1.636500     -0.8513000      0.8921000    
 H   -1.984100       1.586700      0.9753000    
 H   -1.751400       2.050200     -0.7125000    
 H    3.279300       1.483600     -0.2142000    
 H    3.044500       1.136800       1.504100    
 H   -3.144700      0.1044000      -1.434600    
 H   -3.367700     -0.3573000      0.2508000    
 H    4.114100      -1.107900       1.207500    
 H    4.335200     -0.7682000     -0.5218000    
 H   -4.306900       2.268800      -1.012600    
 H   -4.562200       1.836500      0.6736000    
 H    7.865500     -0.6461000       1.239300    
 H    6.505700      -1.775600       1.216400    
 H   -5.481900     -0.9623000      0.9121000    
 H   -6.406600      0.4260000       1.533400    
 H    7.956100      -2.074600     -0.7840000    
 H    6.375700      -1.480900      -1.318100    
 H   -7.763800      -1.650400       1.554100    
 H   -8.468100     -0.4750000      0.4249000    
 H    8.111400     -0.3639000      -2.265400    
 H   -8.317900      -2.569800     -0.4475000    


%chk=000094118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094118

0 1
S 5.910484 0.534119 0.985515
S -6.126697 0.356432 -0.998871
O 8.613759 0.280002 -0.916684
O -8.588243 -1.433275 -0.131025
C 0.586294 0.745254 0.174334
C -0.738821 0.023912 -0.160176
C 1.809723 -0.199536 0.173026
C -1.961571 0.969771 -0.168543
C 3.130697 0.529203 0.518047
C -3.284030 0.240146 -0.507275
C 4.342029 -0.418208 0.495599
C -4.492678 1.191825 -0.524106
C 7.183578 -0.829236 0.670993
C -6.442216 -0.622652 0.597810
C 7.708213 -0.866263 -0.763432
C -7.930846 -0.650519 0.926810
H 0.754102 1.562561 -0.557556
H 0.499335 1.230745 1.168718
H -0.909523 -0.789825 0.575328
H -0.649898 -0.466739 -1.151804
H 1.900701 -0.678617 -0.824245
H 1.639852 -1.020312 0.900714
H -2.051088 1.462309 0.822506
H -1.790723 1.781825 -0.905915
H 3.298057 1.355624 -0.200800
H 3.043572 0.992646 1.521258
H -3.198318 -0.250539 -1.496577
H -3.456812 -0.569601 0.230088
H 4.205745 -1.250628 1.210261
H 4.490721 -0.835319 -0.517722
H -4.360945 1.981923 -1.285703
H -4.634339 1.685274 0.455706
H 8.020401 -0.633425 1.361898
H 6.719586 -1.793183 0.946464
H -6.062465 -1.649950 0.474019
H -5.887442 -0.120183 1.410697
H 8.263212 -1.817973 -0.926219
H 6.863730 -0.823257 -1.483556
H -8.077855 -1.137096 1.917114
H -8.324905 0.386139 0.972192
H 8.757331 0.472217 -1.876097
H -9.567702 -1.299489 -0.088789


