%chk=000091939.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091939

0 1
 Cl   3.749300      -1.987100     -0.3770000    
 S   0.4766000      -2.393600     -0.4393000    
 N  -0.8795000      0.3055000     -7.2899997E-02
 N   -3.731300      0.4670000     -8.1299998E-02
 N    1.119200       1.567900      0.1044000    
 N    3.278300      0.5071000     -3.6300000E-02
 N    3.092900       2.824400      0.2809000    
 C   -1.593900      0.7714000       1.122300    
 C   -1.603300      0.4470000      -1.340000    
 C   -3.007400      0.1863000       1.164900    
 C   -3.017200     -0.1266000      -1.218100    
 C   0.5190000      0.3533000     -6.3400000E-02
 C   -5.097800     -4.8700001E-02 -7.7000000E-03
 C    1.273500     -0.8119000     -0.2213000    
 C    2.646400     -0.6736000     -0.1995000    
 C    2.465900       1.571300      0.1078000    
 C   0.3093000      -2.959700       1.276600    
 H   -1.059600      0.4634000       2.029700    
 H   -1.637200       1.868100       1.119500    
 H   -1.647100       1.508500      -1.615400    
 H   -1.077700     -7.6800004E-02  -2.147400    
 H   -2.950800     -0.8959000       1.344900    
 H   -3.537100      0.6315000       2.015900    
 H   -3.553900      8.5600004E-02  -2.150600    
 H   -2.962500      -1.218700      -1.114200    
 H   -5.125000      -1.135100      0.1353000    
 H   -5.649100      0.1924000     -0.9234000    
 H   -5.641900      0.4216000      0.8188000    
 H  -0.1701000      -3.941900       1.286900    
 H  -0.3079000      -2.262100       1.848600    
 H    1.292000      -3.043400       1.748200    
 H    2.525100       3.653000      0.3925000    
 H    4.102100       2.878200      0.2898000    


%chk=000091939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091939

0 1
Cl 3.975124 -1.712066 -1.131042
S 0.779402 -2.412862 -0.992565
N -0.834081 0.327855 -0.111715
N -3.727304 0.336681 -0.115872
N 1.121072 1.457379 0.505325
N 3.356656 0.631693 0.009046
N 3.033475 2.641199 1.161385
C -1.587857 1.361068 0.643027
C -1.598784 -0.161119 -1.289743
C -2.958089 0.799896 1.061454
C -2.970694 -0.699381 -0.854817
C 0.558754 0.342799 -0.071191
C -5.092316 -0.099126 0.233987
C 1.401024 -0.747300 -0.532822
C 2.790575 -0.477849 -0.485993
C 2.478371 1.542880 0.550249
C 0.098418 -2.941390 0.695879
H -0.999811 1.657217 1.523944
H -1.731124 2.263126 0.012642
H -1.752112 0.691405 -1.985448
H -1.033906 -0.951279 -1.804290
H -2.799293 -0.028559 1.801413
H -3.530282 1.599392 1.568364
H -3.545146 -0.985848 -1.755177
H -2.821197 -1.623039 -0.236588
H -5.113771 -0.975968 0.930029
H -5.639619 -0.378663 -0.683971
H -5.636672 0.732766 0.715715
H -0.378410 -3.922163 0.540730
H -0.642752 -2.204916 1.042346
H 0.929182 -3.029694 1.411172
H 2.425142 3.359158 1.544055
H 4.045323 2.735108 1.179671


