%chk=000082442.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082442

0 1
 S    6.228700      6.1000001E-02   1.202500    
 S   -3.003500       3.094900      0.4650000    
 O    3.377400      0.3296000      4.4599999E-02
 O   -3.462700      4.4000000E-02  0.3125000    
 O    2.070000     -0.5853000      -1.621200    
 O   -3.402800      -1.664100      -1.239400    
 C  -8.3099999E-02  -1.017000      0.1901000    
 C   -1.081800      -1.191100       1.341000    
 C    1.207200     -0.3300000      0.6387000    
 C   -2.340400      -1.939700      0.9100000    
 C    2.234700     -0.2178000     -0.4659000    
 C   -3.123400      -1.195500     -0.1433000    
 C    4.459300      0.4720000     -0.8812000    
 C   -4.216100      0.8501000     -0.5986000    
 C    5.662400       1.090200     -0.1864000    
 C   -4.526000       2.198800      3.1700000E-02
 H   0.1571000      -1.999900     -0.2346000    
 H  -0.5368000     -0.4304000     -0.6181000    
 H   -1.341100     -0.2077000       1.750600    
 H  -0.6031000      -1.754600       2.151000    
 H   0.9799000      0.6805000      0.9963000    
 H    1.656400     -0.9030000       1.458200    
 H   -2.074300      -2.925100      0.5105000    
 H   -3.000600      -2.107800       1.768200    
 H    4.143100       1.128400      -1.700500    
 H    4.718800     -0.5089000      -1.298600    
 H   -5.157800      0.3392000     -0.8318000    
 H   -3.649600      0.9817000      -1.528800    
 H    5.398100       2.070500      0.2227000    
 H    6.487900       1.219500     -0.8924000    
 H   -5.095300       2.060200      0.9563000    
 H   -5.118000       2.814200     -0.6520000    
 H    7.237700      0.8591000       1.581000    
 H   -3.605800       4.175800      0.9820000    


%chk=000082442-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082442

0 1
S 5.951068 0.506569 1.382790
S -1.930753 2.626461 -0.035924
O 3.108973 0.556998 0.097757
O -3.420153 -0.022997 0.416903
O 2.093734 -0.748087 -1.543054
O -3.929239 -1.694192 -1.121244
C -0.206715 -1.245110 0.178311
C -1.191229 -1.553028 1.327180
C 1.035346 -0.490954 0.689334
C -2.503545 -2.214863 0.838394
C 2.085121 -0.273561 -0.385421
C -3.344387 -1.335977 -0.074987
C 4.237968 0.811724 -0.836993
C -4.166755 0.954164 -0.418228
C 5.295515 1.575242 -0.053200
C -3.809637 2.334880 0.113984
H 0.104342 -2.181107 -0.323042
H -0.707184 -0.628935 -0.592450
H -1.440247 -0.620549 1.866414
H -0.709768 -2.234683 2.056727
H 0.753829 0.495288 1.105142
H 1.519530 -1.041875 1.521218
H -2.300389 -3.148383 0.284977
H -3.130431 -2.479969 1.713170
H 3.862045 1.412459 -1.687281
H 4.615905 -0.151445 -1.222325
H -5.250222 0.753042 -0.313232
H -3.879661 0.822743 -1.475816
H 4.880557 2.504971 0.366284
H 6.139568 1.814632 -0.720539
H -4.086190 2.435098 1.174915
H -4.331494 3.105082 -0.476754
H 7.268715 0.923944 1.279528
H -2.017717 3.924220 -0.512440


