%chk=000031828.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031828

0 1
 S   -1.495500     -0.7653000     -0.4146000    
 O    1.514000     -0.4779000      0.2215000    
 O    3.553500      -1.098500     -0.6466000    
 C   -4.237200     -0.3588000     -0.1368000    
 C   -4.094000       1.152700      6.0600001E-02
 C   -3.055900      -1.163500      0.4047000    
 C  -0.4187000      -1.905800      0.5065000    
 C   -5.340100       1.891500     -0.4040000    
 C    1.023900      -1.810000      3.5100002E-02
 C    2.801200     -0.2634000     -0.1648000    
 C    3.168000       1.157700      8.9299999E-02
 C    2.169100       2.101600      0.6850000    
 C    4.411700       1.539800     -0.2359000    
 H   -4.381600     -0.5807000      -1.202000    
 H   -5.145100     -0.7011000      0.3759000    
 H   -3.920600       1.374000       1.120200    
 H   -3.236400       1.541000     -0.4984000    
 H   -2.950500     -0.9784000       1.479200    
 H   -3.261600      -2.230200      0.2656000    
 H  -0.4746000      -1.635200       1.566000    
 H  -0.7825000      -2.930200      0.3811000    
 H   -5.219500       2.969000     -0.2545000    
 H   -6.221500       1.567600      0.1587000    
 H   -5.526800       1.714600      -1.468000    
 H    1.101300      -2.086000      -1.023800    
 H    1.639400      -2.501400      0.6226000    
 H    1.288500       2.187300      3.9900001E-02
 H    1.849000       1.750800       1.671600    
 H    2.582500       3.108000      0.8122000    
 H    4.739500       2.562200     -7.5199999E-02
 H    5.139300      0.8606000     -0.6676000    


%chk=000031828-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031828

0 1
S -1.478044 -0.450577 -0.162829
O 1.624679 -0.402611 0.349009
O 3.536812 -1.214990 -0.705441
C -4.304323 -0.373498 -0.353925
C -4.442599 1.050126 0.234710
C -3.170167 -1.208658 0.266769
C -0.388709 -1.677451 0.786116
C -5.617071 1.832475 -0.390778
C 1.006955 -1.745683 0.182814
C 2.920498 -0.261178 -0.167903
C 3.420729 1.141715 0.015494
C 2.513688 2.159557 0.674902
C 4.676301 1.416438 -0.434779
H -4.158668 -0.310668 -1.451215
H -5.255975 -0.922909 -0.196374
H -4.584770 0.975353 1.332169
H -3.496659 1.603887 0.081573
H -3.261043 -1.238787 1.368122
H -3.178447 -2.241566 -0.126042
H -0.346226 -1.378972 1.846963
H -0.858886 -2.674547 0.705587
H -5.700520 2.846443 0.041127
H -6.579292 1.312547 -0.221297
H -5.482694 1.941655 -1.483580
H 0.983927 -1.998608 -0.892282
H 1.636454 -2.490821 0.705379
H 1.558089 2.250655 0.128572
H 2.253514 1.850961 1.703463
H 3.000230 3.148887 0.713604
H 5.108962 2.418210 -0.340539
H 5.282055 0.634614 -0.905887


