%chk=000027404.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027404

1 1
 Cl   5.968200       1.728400     -0.1595000    
 S   -1.383300      0.3710000      -1.920400    
 O    1.258100      -2.831400       1.046200    
 N   -2.074900       3.247300      0.9016000    
 N  -1.8000000E-03  -1.322800     -0.2491000    
 N    1.067600      0.6348000      -1.105700    
 C   -1.895500       1.895900      0.3149000    
 C   -1.633300       1.998400      -1.186700    
 C   -2.257700       3.161100       2.423100    
 C  -0.8528000       4.131300      0.6170000    
 C   -3.311600       3.938300      0.3109000    
 C   -2.801800       2.681800      -1.891200    
 C   2.6200000E-02 -0.1267000     -0.9876000    
 C    1.167600      -1.807200      0.3730000    
 C    2.364800     -0.9506000      0.2315000    
 C    2.257000      0.2450000     -0.4806000    
 C   -1.201800      -2.087700     -5.1100001E-02
 C    3.578200      -1.321900      0.8233000    
 C    3.382500       1.069600     -0.5949000    
 C   -2.027400      -1.800200       1.027600    
 C   -1.519100      -3.105400     -0.9408000    
 C    4.691400     -0.4916000      0.7009000    
 C    4.593900      0.7041000     -6.6000000E-03
 C   -3.191600      -2.543900       1.220200    
 C   -2.683400      -3.849100     -0.7482000    
 C   -3.519600      -3.568300      0.3321000    
 H   -2.799300       1.312600      0.5342000    
 H   -1.055000       1.432200      0.8436000    
 H  -0.7215000       2.558400      -1.409900    
 H   -3.156300       2.570200       2.623600    
 H   -1.374400       2.671500       2.843900    
 H   -2.359600       4.172300       2.828400    
 H  -0.9531000       5.046600       1.209300    
 H   4.5400001E-02   3.584900      0.9201000    
 H  -0.8154000       4.401800     -0.4405000    
 H   -4.122900       3.224400      0.1625000    
 H   -3.683700       4.611800       1.096100    
 H   -3.060700       4.635500     -0.4848000    
 H   -3.792700       2.364300      -1.559600    
 H   -2.673400       3.755400      -2.016200    
 H   -2.797100       2.378400      -2.951300    
 H    3.674900      -2.248100       1.382900    
 H    3.307100       2.001500      -1.152100    
 H   -1.778400      -1.006600       1.726600    
 H  -0.8730000      -3.331700      -1.784600    
 H    5.628500     -0.7897000       1.164300    
 H   -3.842400      -2.325600       2.061800    
 H   -2.938600      -4.646900      -1.439600    
 H   -4.426100      -4.147500      0.4821000    


%chk=000027404-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027404

1 1
Cl 5.223598 2.313715 0.828981
S -2.276847 0.033147 -0.548063
O 1.332368 -3.373708 0.545790
N -1.648879 4.042118 0.687044
N -0.238646 -1.693212 0.045623
N 0.363893 0.640437 -0.014990
C -2.067803 2.534236 0.567277
C -2.102687 1.921190 -0.847431
C -1.211414 4.269807 2.136096
C -0.470224 4.346726 -0.234586
C -2.814238 4.978306 0.381512
C -3.249657 2.337657 -1.782936
C -0.513873 -0.340872 -0.126768
C 1.104462 -2.151067 0.383802
C 2.093891 -1.062946 0.496237
C 1.699353 0.296709 0.287899
C -1.282698 -2.705719 -0.113579
C 3.443144 -1.371339 0.808286
C 2.670400 1.326936 0.390160
C -2.067045 -3.070978 1.002540
C -1.458394 -3.324217 -1.370835
C 4.403892 -0.352926 0.915098
C 3.994218 0.986902 0.700681
C -3.060126 -4.062940 0.848528
C -2.453133 -4.315354 -1.514554
C -3.254557 -4.682521 -0.408009
H -3.050703 2.451951 1.063985
H -1.305434 1.994337 1.151413
H -1.116067 2.013754 -1.329132
H -2.013537 3.932276 2.810179
H -0.294796 3.692255 2.328670
H -1.018906 5.342778 2.291649
H -0.052855 5.328560 0.037811
H 0.283478 3.554038 -0.111644
H -0.815996 4.369790 -1.278223
H -3.609036 4.814775 1.125254
H -2.460300 6.019701 0.437956
H -3.199901 4.770340 -0.624330
H -4.234041 2.293297 -1.283426
H -3.102018 3.360231 -2.177412
H -3.286097 1.668365 -2.658841
H 3.715407 -2.420281 0.961599
H 2.383700 2.366600 0.213316
H -1.890111 -2.600171 1.975172
H -0.819415 -3.043677 -2.214413
H 5.445672 -0.580956 1.154478
H -3.670432 -4.359398 1.707565
H -2.595414 -4.805590 -2.482852
H -4.019997 -5.457165 -0.521875


