%chk=000120824.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120824

0 1
 S  -0.3687000      -2.048500      -1.030100    
 S   -1.168100       1.283400     -0.9811000    
 N    2.541300      0.5535000      0.1879000    
 N   -2.550400      -2.650800      0.6976000    
 N   -2.968200       2.936400      0.4837000    
 C    1.787300     -0.3852000     -0.6394000    
 C   0.4743000     -0.8144000      3.5300002E-02
 C  -0.5033000      0.3138000      0.4106000    
 C    3.735200       1.016000     -0.5199000    
 C    2.911200     -6.7000002E-02   1.460200    
 C   -1.657200      -2.397500      2.0999999E-03
 C   -2.233400       2.260200     -0.1069000    
 H    2.400500      -1.270100     -0.8620000    
 H    1.561200      8.8699996E-02  -1.603600    
 H   0.7104000      -1.367900      0.9512000    
 H   1.3500000E-02   1.020300       1.071300    
 H   -1.338300     -6.7299999E-02   1.008200    
 H    4.274600       1.758600      7.8599997E-02
 H    3.460000       1.512500      -1.457200    
 H    4.422900      0.1949000     -0.7527000    
 H    3.426200      -1.025100       1.325000    
 H    2.045900     -0.2144000       2.113200    
 H    3.581500      0.5934000       2.023800    


%chk=000120824-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120824

0 1
S -0.533090 -2.253719 -0.951285
S -1.614997 1.046144 -0.875155
N 2.297033 0.453233 0.427982
N -2.320597 -3.526810 1.006782
N -0.014351 3.506027 -1.071931
C 1.507332 -0.349463 -0.527165
C 0.254572 -0.894979 0.198289
C -0.768872 0.161601 0.611988
C 2.999343 1.606590 -0.181911
C 3.191099 -0.362830 1.278216
C -1.582934 -2.995284 0.223654
C -0.647982 2.493222 -0.960429
H 2.085569 -1.202877 -0.955871
H 1.190810 0.290531 -1.370386
H 0.556201 -1.453216 1.102755
H -0.265448 0.940451 1.207298
H -1.609395 -0.270683 1.178360
H 3.465831 2.209238 0.617142
H 2.280968 2.253201 -0.711815
H 3.801534 1.301099 -0.896061
H 4.021560 -0.836516 0.699843
H 2.627922 -1.166637 1.784367
H 3.636291 0.275178 2.061133


