%chk=000046738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046738

0 1
 Cl   6.841600      -1.679700     -0.1637000    
 O   -4.211900     -0.4601000      -1.587200    
 O   -4.208500      -2.617700      0.1215000    
 N  -0.6050000       2.768500     -2.4200000E-02
 C  -0.5590000       1.684300      0.9939000    
 C   -1.545300      0.5391000      0.7498000    
 C   -1.966100       3.017200     -0.5136000    
 C   0.8775000       1.128500       1.036500    
 C   -2.490600       1.775900      -1.228100    
 C   -2.464100      0.5863000     -0.3129000    
 C    1.246500      0.4894000     -0.2944000    
 C  -4.3699998E-02   4.022700      0.4926000    
 C   -1.586300     -0.5633000       1.621200    
 C   -3.345200     -0.4825000     -0.5326000    
 C   -3.349900      -1.580300      0.3245000    
 C   -2.477200      -1.616300       1.406800    
 C    2.651600     -5.4900002E-02 -0.2607000    
 C    3.707800      0.7604000     -0.6396000    
 C    2.866400      -1.363000      0.1478000    
 C    5.008100      0.2562000     -0.6096000    
 C    4.166600      -1.867200      0.1781000    
 C    5.237500      -1.057500     -0.2005000    
 C   -3.750800      -3.685900     -0.7056000    
 H  -0.8189000       2.102700       1.976400    
 H   -1.965100       3.843800      -1.234900    
 H   -2.634000       3.302700      0.3107000    
 H   0.9831000      0.3936000       1.844500    
 H    1.595500       1.918000       1.288900    
 H   -1.890300       1.559500      -2.120300    
 H   -3.513600       2.004200      -1.548700    
 H    1.172200       1.209200      -1.119100    
 H   0.5682000     -0.3308000     -0.5578000    
 H    1.005900       3.911000      0.7790000    
 H  -0.6009000       4.395700       1.359600    
 H  -6.0699999E-02   4.797400     -0.2828000    
 H  -0.9241000     -0.6132000       2.481700    
 H   -2.482700      -2.460900       2.090500    
 H    3.539600       1.785400     -0.9575000    
 H    2.039100      -2.000700      0.4466000    
 H   -3.890400      0.1448000      -2.274400    
 H    5.832900      0.8987000     -0.9070000    
 H    4.330300      -2.892600      0.4994000    
 H   -2.868800      -4.160900     -0.2646000    
 H   -3.518600      -3.322800      -1.711700    
 H   -4.549200      -4.429500     -0.7779000    


%chk=000046738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046738

0 1
Cl 7.258199 -1.363163 -0.040267
O -4.220830 -0.686640 -1.596318
O -4.245202 -2.784061 0.357521
N -0.632474 2.708050 -0.018837
C -0.543735 1.626960 1.006805
C -1.564781 0.501465 0.787915
C -1.992917 2.927770 -0.550966
C 0.908886 1.053564 1.045192
C -2.478950 1.663092 -1.278495
C -2.440284 0.475806 -0.327597
C 1.345071 0.402876 -0.294025
C -0.005464 3.967671 0.428789
C -1.625370 -0.554402 1.730903
C -3.321992 -0.625416 -0.508072
C -3.351667 -1.701098 0.421203
C -2.503815 -1.638679 1.549353
C 2.796688 -0.043941 -0.262822
C 3.838063 0.828466 -0.674680
C 3.154831 -1.331698 0.215036
C 5.195556 0.439788 -0.611249
C 4.504951 -1.743225 0.287025
C 5.506615 -0.844827 -0.127014
C -4.341524 -3.528694 -0.915158
H -0.744630 2.058711 2.023395
H -1.947388 3.774993 -1.260299
H -2.728588 3.199869 0.248868
H 0.980949 0.310766 1.861839
H 1.618331 1.862281 1.305299
H -1.835053 1.490387 -2.163344
H -3.510293 1.860314 -1.645238
H 1.177767 1.144960 -1.096296
H 0.683446 -0.459616 -0.500485
H 1.051055 3.801993 0.698208
H -0.516929 4.420679 1.315435
H -0.029201 4.703983 -0.394140
H -0.980214 -0.533091 2.616210
H -2.557971 -2.458785 2.271670
H 3.586804 1.824906 -1.058193
H 2.368176 -2.027588 0.531212
H -4.148796 0.130830 -2.149118
H 5.991069 1.117588 -0.934905
H 4.770974 -2.739428 0.652685
H -3.355471 -3.953171 -1.188199
H -4.710479 -2.882312 -1.727431
H -5.053911 -4.342533 -0.710816


