%chk=000068960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068960

0 1
 S    3.460500      0.2678000      0.2696000    
 N   0.8566000     -0.4041000     -0.3819000    
 C   -1.572800      3.4100000E-02 -0.2897000    
 C  -0.1719000      0.5239000      9.4599999E-02
 C   -1.872900      -1.347700      0.2929000    
 C   -2.656800       1.034500      0.1138000    
 C    1.957400     -0.1085000     -9.9299997E-02
 H   -1.606900     -6.2399998E-02  -1.383300    
 H  -1.0500000E-02   1.518600     -0.3439000    
 H  -0.1140000      0.6330000       1.186900    
 H   -1.820900      -1.334100       1.386900    
 H   -2.876900      -1.679300      7.1000000E-03
 H   -1.164400      -2.098400     -7.1699999E-02
 H   -2.684900       1.169200       1.200300    
 H   -3.644800      0.6925000     -0.2121000    
 H   -2.472800       2.011800     -0.3446000    


%chk=000068960-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068960

0 1
S 3.438893 -1.028546 -0.457707
N 0.948400 0.232009 0.066572
C -1.524418 0.114201 -0.264435
C -0.300143 0.868827 0.334512
C -1.646348 -1.312487 0.312748
C -2.798799 0.947455 -0.000437
C 2.003108 -0.301934 -0.157895
H -1.366402 0.040842 -1.359315
H -0.274483 1.900688 -0.071182
H -0.436709 0.954749 1.432854
H -1.797069 -1.282892 1.408993
H -2.509543 -1.839110 -0.132719
H -0.742264 -1.912979 0.108147
H -2.979525 1.062570 1.085652
H -3.683077 0.449464 -0.435583
H -2.727619 1.958045 -0.444606


