%chk=000089682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089682

0 1
 S    1.388600      0.2276000     -0.5106000    
 O    1.814000     -0.9381000      -1.272100    
 O    1.684300       1.563800      -1.009200    
 O    4.161000     -0.8512000      0.2921000    
 C    2.104800      0.1105000       1.113300    
 C  -0.3305000      9.3400002E-02 -0.2370000    
 C    3.617100      0.2092000       1.067600    
 C   -1.092200       1.239300     -8.2999999E-03
 C  -0.9422000      -1.160100     -0.2475000    
 C   -3.077400     -0.1217000      0.1994000    
 C   -2.465700       1.131800      0.2101000    
 C   -2.315800      -1.267700     -2.9300001E-02
 C   -4.546100     -0.2367000      0.4314000    
 H    1.686100      0.9147000       1.725000    
 H    1.799000     -0.8585000       1.521300    
 H    3.936000       1.157300      0.6230000    
 H    4.028200      0.1417000       2.079600    
 H  -0.6351000       2.224600      9.9999998E-03
 H  -0.3677000      -2.066300     -0.4168000    
 H   -3.048500       2.031900      0.3865000    
 H   -2.781100      -2.249700     -4.0399998E-02
 H   -4.796200      -1.186000      0.9173000    
 H   -4.906600      0.5632000       1.087200    
 H   -5.082600     -0.1780000     -0.5209000    
 H    5.127300     -0.7435000      0.2997000    


%chk=000089682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089682

0 1
S 1.621779 -0.668739 -0.755318
O 1.708674 -2.108065 -1.523643
O 2.197081 0.730593 -1.431724
O 3.789701 1.318229 0.769443
C 2.564534 -0.833945 0.947275
C -0.186852 -0.340887 -0.320560
C 2.817086 0.558506 1.537041
C -0.621849 0.990291 -0.223031
C -1.038734 -1.447174 -0.168404
C -2.884438 0.133237 0.264975
C -1.983075 1.215497 0.079735
C -2.395142 -1.194624 0.132811
C -4.351510 0.390154 0.555444
H 1.916244 -1.486940 1.554727
H 3.495221 -1.342901 0.648106
H 1.857135 1.107549 1.661988
H 3.256179 0.426575 2.542896
H 0.074282 1.814903 -0.409526
H -0.659923 -2.465097 -0.310152
H -2.350331 2.244584 0.164730
H -3.083503 -2.038258 0.258191
H -4.793720 -0.418512 1.162626
H -4.499049 1.343444 1.091423
H -4.931815 0.448737 -0.385611
H 3.440726 1.374344 -0.172042


