%chk=000043012.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043012

0 1
 S    3.916700      0.3229000      0.4379000    
 S    1.574000      -1.372200     -6.3800000E-02
 O  -0.8149000     -0.2575000     -9.8000001E-03
 O   -2.395400       1.418700     -3.9099999E-02
 N   8.0899999E-02  0.8185000     -7.5700000E-02
 N   -2.986300     -0.8201000      6.8000004E-02
 C    2.481500       1.241200     -0.1539000    
 C    1.282100      0.3497000     -8.7600000E-02
 C    3.375000      -1.284800     -0.1741000    
 C   -2.093400      0.2299000      3.3000000E-03
 C   -4.420100     -0.6464000      9.4700001E-02
 H    2.638400       1.554200      -1.190600    
 H    2.324700       2.131400      0.4617000    
 H    3.829500      -2.086600      0.4132000    
 H    3.682400      -1.397800      -1.217500    
 H   -2.616400      -1.765300      9.1799997E-02
 H   -4.810700      -1.168700      0.9714000    
 H   -4.834800      -1.098200     -0.8097000    
 H   -4.693400      0.4104000      0.1396000    


%chk=000043012-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043012

0 1
S 3.944974 0.382474 0.688324
S 1.691310 -1.525674 -0.204445
O -0.896012 -0.253292 -0.096286
O -2.539182 1.485457 0.142780
N 0.121406 0.806577 -0.079768
N -3.082115 -0.804825 0.026245
C 2.507087 1.201719 -0.219849
C 1.311857 0.268972 -0.154177
C 3.575012 -1.261874 -0.137844
C -2.241308 0.283062 0.039431
C -4.536524 -0.656299 0.131274
H 2.803144 1.375703 -1.268923
H 2.281536 2.161595 0.267150
H 4.009585 -2.064909 0.473531
H 3.968408 -1.278543 -1.163980
H -2.662068 -1.730182 -0.065080
H -4.931883 -1.215573 0.998714
H -5.044652 -1.008405 -0.785593
H -4.760774 0.413317 0.268296


