%chk=000072552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072552

0 1
 S  -0.7904000      0.6618000       2.138600    
 S   0.7884000     -0.6566000       2.137700    
 O   -2.400800       2.980500     -0.1282000    
 O    2.395600      -2.981000     -0.1257000    
 N  -0.5756000       2.136900      -1.230600    
 N   0.5731000      -2.134300      -1.230400    
 C   -1.860200     -6.0300000E-02  0.8991000    
 C    1.857200      5.9700001E-02  0.9023000    
 C   -2.226400      0.6351000     -0.2531000    
 C    2.226300     -0.6353000     -0.2530000    
 C   -2.329000      -1.357100       1.109600    
 C    2.332200       1.357900       1.108100    
 C   -3.061600      3.4000002E-02  -1.194900    
 C    3.063600     -3.6800001E-02  -1.194500    
 C   -3.164000      -1.958400      0.1680000    
 C    3.169400       1.956600      0.1665000    
 C   -3.530300      -1.262900     -0.9842000    
 C    3.535100       1.259300     -0.9847000    
 C   -1.764500       1.991800     -0.5257000    
 C    1.761800      -1.991100     -0.5247000    
 H   -2.070300      -1.919300       2.003600    
 H    2.074300       1.922400       2.001100    
 H   -3.354800      0.5641000      -2.097500    
 H    3.356500     -0.5684000      -2.096500    
 H   -4.180700      -1.731000      -1.717300    
 H    4.187000       1.725300      -1.717600    
 H   -3.531000      -2.967200      0.3327000    
 H    3.538400       2.964800      0.3306000    
 H  -3.9600000E-02   1.337900      -1.554200    
 H  -0.2021000       3.056300      -1.441400    
 H   3.9000001E-02  -1.334500      -1.555300    
 H   0.1978000      -3.053100      -1.440500    


%chk=000072552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072552

0 1
S -0.933005 0.735104 1.863580
S 0.924240 -0.721301 1.876614
O -1.950584 1.277041 -2.752965
O 1.923780 -1.252701 -2.745306
N -0.642833 1.979987 -0.988439
N 0.637043 -1.974035 -0.972657
C -2.140427 -0.115548 0.757960
C 2.139625 0.119125 0.771915
C -2.349824 0.177252 -0.627866
C 2.346249 -0.173119 -0.614436
C -2.938643 -1.094278 1.411330
C 2.946394 1.089772 1.426816
C -3.369749 -0.547189 -1.302733
C 3.372060 0.543777 -1.288359
C -3.939411 -1.800298 0.714765
C 3.954270 1.787089 0.731652
C -4.152424 -1.522352 -0.654817
C 4.164360 1.509903 -0.638499
C -1.627423 1.184658 -1.525762
C 1.613924 -1.171777 -1.513854
H -2.764162 -1.287604 2.474396
H 2.772538 1.283944 2.489817
H -3.514815 -0.306399 -2.361069
H 3.513629 0.304898 -2.347600
H -4.926656 -2.058469 -1.213897
H 4.943409 2.039894 -1.196723
H -4.544770 -2.549415 1.235777
H 4.566477 2.529685 1.253977
H -0.377795 1.933595 -0.000315
H -0.170225 2.622403 -1.624413
H 0.380982 -1.935270 0.018179
H 0.158165 -2.611273 -1.609168


