%chk=000085976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085976

0 1
 S    2.240500      -2.672000     -0.8122000    
 N    2.204900     -0.2810000      0.5769000    
 C   0.4835000       1.464300      0.5420000    
 C    1.713500      0.8792000     -0.1779000    
 C  -0.7745000      0.7080000      0.2760000    
 C    2.848100       1.892000     -0.2684000    
 C   -1.585400       1.060900     -0.8027000    
 C   -1.139900     -0.3518000       1.105900    
 C   -2.761800      0.3537000      -1.051300    
 C   -2.316200      -1.059000      0.8573000    
 C   -3.127200     -0.7063000     -0.2214000    
 C    2.214600      -1.288100     -2.4100000E-02
 H   0.6641000       1.518500       1.624200    
 H   0.3338000       2.505000      0.2237000    
 H    1.432800      0.6177000      -1.210200    
 H    3.171500       2.215000      0.7274000    
 H    2.537600       2.778900     -0.8304000    
 H    3.718200       1.458800     -0.7737000    
 H   -1.311000       1.882900      -1.458400    
 H  -0.5187000     -0.6362000       1.951000    
 H   -3.393000      0.6277000      -1.891600    
 H   -2.600700      -1.884200       1.503700    
 H   -4.043000      -1.257100     -0.4152000    


%chk=000085976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085976

0 1
S 2.720456 -3.051648 0.447909
N 2.020353 -0.358214 -0.131092
C 0.495884 1.482988 0.498022
C 1.669259 1.004382 -0.421093
C -0.805348 0.732836 0.260530
C 2.910068 1.920258 -0.280957
C -1.716464 1.176263 -0.733071
C -1.120811 -0.438078 0.996403
C -2.910505 0.466238 -0.990503
C -2.313340 -1.151952 0.741349
C -3.212083 -0.702402 -0.253339
C 2.315275 -1.500012 0.112037
H 0.825996 1.383544 1.549025
H 0.358801 2.561826 0.294150
H 1.313626 1.040928 -1.471736
H 3.262654 1.942446 0.765372
H 2.649300 2.948791 -0.587500
H 3.735069 1.562358 -0.919980
H -1.493626 2.087476 -1.303481
H -0.429792 -0.795282 1.769484
H -3.605423 0.824811 -1.758329
H -2.539655 -2.056234 1.317104
H -4.137994 -1.254423 -0.449704


