%chk=000086759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086759

0 1
 S    3.888200     -0.6332000      0.1868000    
 N    1.518200      0.7283000     -0.2449000    
 C  -0.4084000     -0.7795000     -0.4995000    
 C   -1.914000      0.8134000     -0.1055000    
 C   -1.265500      0.1771000      -1.333000    
 C   0.3442000      0.1829000      0.4402000    
 C  -0.6848000       1.298900      0.6864000    
 C   -1.482000      -1.516400      0.3201000    
 C   -2.514000     -0.4137000      0.6038000    
 C    2.518100      0.1423000     -5.4200001E-02
 H   0.2308000      -1.449600      -1.079000    
 H   -2.642000       1.600900     -0.3092000    
 H   -1.981900     -0.3395000      -1.980800    
 H  -0.6793000      0.8844000      -1.928500    
 H   0.6122000     -0.2982000       1.391700    
 H  -0.3371000       2.266000      0.3046000    
 H  -0.9093000       1.416400       1.751800    
 H   -1.084500      -1.956300       1.240200    
 H   -1.940700      -2.317600     -0.2704000    
 H   -3.481800     -0.6829000      0.1659000    
 H   -2.657600     -0.2505000       1.676600    


%chk=000086759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086759

0 1
S 4.237676 0.800450 -0.756810
N 1.623106 0.180682 0.173467
C -0.503338 -1.005450 -0.381524
C -1.808013 0.855244 -0.154238
C -1.114966 0.079601 -1.312500
C 0.306359 -0.131968 0.639860
C -0.602713 1.157672 0.784443
C -1.760654 -1.536919 0.370283
C -2.675440 -0.261167 0.500722
C 2.731171 0.443781 -0.219010
H 0.110326 -1.786284 -0.856939
H -2.374138 1.755682 -0.442016
H -1.827934 -0.337679 -2.045129
H -0.354325 0.674161 -1.848855
H 0.405134 -0.663706 1.606054
H -0.043786 2.046532 0.444625
H -0.908433 1.324183 1.831932
H -1.503847 -1.978762 1.350588
H -2.254600 -2.324685 -0.225206
H -3.625840 -0.393809 -0.046859
H -2.926944 -0.024361 1.550214


