%chk=000077334.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077334

0 1
 S    1.914400       1.391300     -0.2362000    
 O   -3.224900     -7.6000001E-03  0.1829000    
 N  -0.4238000     -1.3000000E-03 -4.7400001E-02
 N    1.733900      -1.102600      0.1373000    
 N    3.341500      0.5163000     -9.2299998E-02
 N    3.086000     -0.7730000      9.9299997E-02
 C   -1.151400      -1.264800      0.1357000    
 C   -1.132100       1.198800      0.4108000    
 C   -2.567500      -1.126800     -0.4113000    
 C   -2.550300       1.205300     -0.1491000    
 C   0.9742000     -3.5599999E-02 -2.9700000E-02
 H   -1.186500      -1.498000       1.207000    
 H  -0.6505000      -2.092200     -0.3802000    
 H  -0.6532000       2.130400      9.5500000E-02
 H   -1.167100       1.187100       1.507300    
 H   -2.565400      -1.011200      -1.502000    
 H   -3.148600      -2.023500     -0.1740000    
 H   -3.118700       2.034800      0.2836000    
 H   -2.549600       1.335800      -1.238100    


%chk=000077334-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077334

0 1
S 1.867705 1.580835 -0.067146
O -3.247937 -0.017262 -0.133223
N -0.419608 0.036123 0.366681
N 1.555394 -1.118588 -0.240469
N 3.422145 0.247715 -0.580999
N 2.855273 -0.879698 -0.542368
C -1.165900 -1.250233 0.439340
C -1.248440 1.230060 0.649937
C -2.401818 -1.174330 -0.477589
C -2.483044 1.230325 -0.277360
C 0.897867 0.081763 0.037504
H -1.485986 -1.406929 1.487743
H -0.488979 -2.064824 0.140542
H -0.649924 2.144700 0.501880
H -1.579980 1.189759 1.705970
H -2.083997 -1.107791 -1.539699
H -3.042649 -2.059781 -0.339756
H -3.177031 2.039567 0.001176
H -2.162691 1.361790 -1.333065


