%chk=000076336.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076336

0 1
 S    2.186000     -5.0000002E-04  -1.194700    
 N   -3.496700      3.0000001E-04  0.6752000    
 N    3.397000      6.0000003E-04   1.388700    
 C   -2.156600      1.9999999E-04  0.2347000    
 C   0.4933000     -3.9999999E-04 -0.6373000    
 C   -1.494100       1.208000      1.6300000E-02
 C   -1.494200      -1.208000      1.7100001E-02
 C  -0.1691000       1.207700     -0.4198000    
 C  -0.1692000      -1.208200     -0.4189000    
 C    2.903600      9.9999997E-05  0.3387000    
 H   -1.999500       2.156000      0.1822000    
 H   -1.999900      -2.155700      0.1836000    
 H   0.3303000       2.159300     -0.5851000    
 H   0.3302000      -2.159900     -0.5833000    
 H   -3.977300      0.8759000      0.8338000    
 H   -3.977200     -0.8752000      0.8342000    


%chk=000076336-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076336

0 1
S 2.233579 -0.000520 -1.192881
N -3.571449 0.000291 0.633271
N 3.767885 0.000402 1.333407
C -2.240295 0.000115 0.231294
C 0.477255 -0.000253 -0.583127
C -1.543615 1.228676 0.019169
C -1.543669 -1.228637 0.020087
C -0.196357 1.225666 -0.385297
C -0.196415 -1.225996 -0.384381
C 3.118812 0.000031 0.324048
H -2.060460 2.183067 0.173891
H -2.060561 -2.182885 0.175532
H 0.330036 2.172652 -0.542680
H 0.329932 -2.173124 -0.541067
H -4.069024 0.871677 0.791740
H -4.069054 -0.870960 0.792394


