%chk=000080419.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080419

0 1
 S    1.614500       2.916500     -8.8799998E-02
 S    3.653800      -2.075100     -7.7100001E-02
 S   -4.172000      -1.173200      8.8900000E-02
 O   -3.490900       1.757100      3.9299998E-02
 O    1.191700       3.441100       1.397500    
 O    4.033200      -2.313700       1.495100    
 O    3.049200       3.099400     -0.2189000    
 O   0.6947000       3.487600      -1.055300    
 O   -4.814700     -0.8723000      -1.383100    
 O    3.244600      -3.364100     -0.6155000    
 O    4.735600      -1.323300     -0.6937000    
 O   -4.012400      -2.614800      0.1979000    
 O   -4.937300     -0.4321000       1.077900    
 C   4.0000002E-03  0.6493000     -2.6300000E-02
 C  -0.1620000     -0.7560000     -6.3000000E-03
 C    1.300800       1.187300     -6.1799999E-02
 C    2.254700      -1.030300     -5.7599999E-02
 C   0.9738000      -1.581900     -2.2399999E-02
 C   -1.458700      -1.294000      2.8999999E-02
 C    2.417900      0.3517000     -7.7299997E-02
 C   -2.575900     -0.4583000      4.4399999E-02
 C   -1.131800       1.475300     -1.0500000E-02
 C   -2.412700      0.9236000      2.4700001E-02
 H   0.8460000      -2.662300      6.9999998E-04
 H   -1.575600      -2.375200      4.1700002E-02
 H    3.422900      0.7613000     -9.1300003E-02
 H   -1.073000       2.555800      2.6900001E-02
 H   -3.185800       2.680000      1.6500000E-02
 H    1.705000       3.054100       2.145200    
 H    3.338700      -2.759900       2.034600    
 H   -4.331900      -1.271100      -2.144900    


%chk=000080419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080419

0 1
S 1.697555 2.947196 -0.049876
S 3.757225 -2.223302 0.006366
S -4.282918 -1.370871 -0.017086
O -3.628031 1.563156 -0.238409
O 1.197503 3.183351 1.719300
O 3.908059 -2.241175 1.851161
O 3.286797 3.176057 -0.212997
O 0.657929 3.777259 -0.974071
O -5.031558 -0.657826 -1.540717
O 3.331692 -3.693908 -0.510371
O 5.023921 -1.440175 -0.619664
O -4.078024 -2.938005 -0.318433
O -5.084263 -0.853591 1.283407
C -0.009195 0.597225 -0.072230
C -0.155515 -0.852365 -0.055444
C 1.335805 1.092571 -0.050203
C 2.255096 -1.105365 -0.007699
C 0.999052 -1.691924 -0.019004
C -1.470925 -1.418308 -0.060496
C 2.470161 0.294073 -0.014044
C -2.568903 -0.580118 -0.089116
C -1.173219 1.422510 -0.131451
C -2.443315 0.840461 -0.141058
H 0.895801 -2.782870 -0.017228
H -1.614620 -2.504816 -0.047362
H 3.479602 0.722651 -0.012524
H -1.064806 2.510658 -0.200717
H -3.483803 2.540660 -0.191013
H 1.420494 4.123446 1.984628
H 4.730035 -2.759555 2.094590
H -5.211231 0.305400 -1.318739


