%chk=000019447.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019447

0 1
 Cl   5.632700     -0.2870000       1.121800    
 O   -2.829400      -1.807100       1.041800    
 O   0.1790000      -3.252600      0.7754000    
 N   0.1702000     -0.7091000     -6.3500002E-02
 N   0.9802000     -0.5569000      -1.000400    
 C  -0.9693000      -1.538900     -0.4679000    
 C   -2.183000      -1.058000      0.3113000    
 C   -2.612000      0.3672000      0.1849000    
 C  -0.5480000      -2.964900     -0.1753000    
 C   -2.369000       1.024900     -0.9984000    
 C   -3.232400      0.9650000       1.257200    
 C   -1.087600      -4.033200      -1.091300    
 C   -2.769400       2.355900      -1.116300    
 C   -3.632800       2.296000       1.139200    
 C    2.051800      0.2431000     -0.5698000    
 C   -3.401400       2.991400     -4.7499999E-02
 C    3.175600     -0.3523000     -4.6000001E-03
 C    1.982500       1.625700     -0.7127000    
 C    4.240000      0.4423000      0.4216000    
 C    3.046800       2.420100     -0.2863000    
 C    4.175500       1.828400      0.2808000    
 H   -1.176600      -1.468600      -1.542600    
 H   -1.895300      0.5570000      -1.853700    
 H   -3.413600      0.4374000       2.188500    
 H   -2.180000      -4.020500      -1.066300    
 H  -0.7304000      -3.857600      -2.108900    
 H  -0.7381000      -5.014600     -0.7590000    
 H   -2.592100       2.896800      -2.041400    
 H   -4.123700       2.791400       1.971800    
 H   -3.713500       4.027500     -0.1395000    
 H    3.220500      -1.433800      0.1020000    
 H    1.107300       2.094900      -1.153900    
 H    2.996500       3.499500     -0.3961000    
 H    4.997200       2.460200      0.6084000    


%chk=000019447-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019447

0 1
Cl 5.088567 0.409605 2.450113
O -2.165971 -1.945892 1.325250
O 0.602812 -3.494303 -0.911769
N 0.519463 -0.888045 -0.106976
N 1.019425 -0.032727 -0.942646
C -0.754302 -1.484445 -0.614774
C -1.873413 -1.130994 0.404969
C -2.555567 0.194442 0.282239
C -0.551167 -3.016358 -0.813923
C -2.164786 1.179784 -0.667910
C -3.629005 0.474626 1.174780
C -1.803147 -3.860188 -0.965009
C -2.844154 2.414825 -0.724556
C -4.307056 1.705872 1.110924
C 2.269072 0.558115 -0.530147
C -3.916873 2.679619 0.158455
C 2.962842 0.196715 0.658197
C 2.792772 1.538665 -1.407859
C 4.171076 0.847181 0.934826
C 4.013393 2.175306 -1.097077
C 4.715496 1.834457 0.081234
H -1.005278 -1.071788 -1.616298
H -1.321562 1.000709 -1.343363
H -3.906674 -0.290677 1.907013
H -2.211107 -4.069471 0.041231
H -2.591565 -3.330142 -1.530272
H -1.550054 -4.810146 -1.460745
H -2.536107 3.172368 -1.453054
H -5.134630 1.912021 1.797996
H -4.443644 3.639089 0.107967
H 2.544581 -0.571201 1.314632
H 2.234892 1.779898 -2.317775
H 4.425897 2.934771 -1.768625
H 5.663974 2.317910 0.332252


