%chk=000079795.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079795

0 1
 S   -3.145300     -0.5649000      2.4999999E-03
 O   0.2926000       2.592000      1.2000001E-03
 N   0.7439000      -1.376000     -2.9000000E-03
 N    1.722100      0.7834000     -4.4999998E-03
 C  -0.5179000     -0.8561000     -1.0000000E-03
 C  -0.7208000      0.4670000      1.9999999E-04
 C   -1.729700      -1.721000     -1.4000000E-03
 C   -2.125400      0.9505000      1.7000000E-03
 C   0.4641000       1.375900     -3.0000001E-04
 C    1.820700     -0.5185000     -2.7999999E-03
 C    3.195800      -1.132200      7.3000002E-03
 H   -1.775100      -2.349200     -0.8955000    
 H   -1.773200      -2.352600      0.8904000    
 H   -2.347400       1.540300      0.8953000    
 H   -2.349200       1.540600     -0.8912000    
 H   0.8493000      -2.384300     -8.9999998E-04
 H    3.328000      -1.707300      0.9281000    
 H    3.966400     -0.3584000     -4.5699999E-02
 H    3.301800      -1.802600     -0.8502000    


%chk=000079795-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079795

0 1
S -3.240034 -0.581492 0.001502
O 0.301326 2.679028 -0.001181
N 0.756179 -1.385113 0.000199
N 1.732283 0.802348 -0.000495
C -0.539453 -0.866938 0.000434
C -0.722746 0.496851 0.000140
C -1.750941 -1.766432 0.000171
C -2.144436 0.987415 -0.000178
C 0.430062 1.419580 -0.000233
C 1.858142 -0.511820 0.000390
C 3.222454 -1.161190 0.005828
H -1.796452 -2.404384 -0.900706
H -1.796088 -2.405601 0.900194
H -2.372534 1.588823 0.894996
H -2.372696 1.587197 -0.896407
H 0.911193 -2.394989 0.000307
H 3.383937 -1.753624 0.926111
H 3.982930 -0.369657 -0.038541
H 3.357573 -1.833401 -0.862231


