%chk=000046813.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046813

0 1
 Cl   2.404200     -0.1686000      -2.534900    
 O  -2.6900001E-02  0.3951000      0.4066000    
 O  -0.1577000       2.662200      2.4200000E-02
 N   -3.760200      -1.066800     -0.6793000    
 C   -3.342000      -1.374800      0.6933000    
 C   -3.616300      0.3909000     -0.7702000    
 C   -4.213900     -0.3702000       1.458200    
 C   -4.396000      0.8041000      0.4854000    
 C   -1.841300      -1.107700      0.9207000    
 C   -2.143800      0.8387000     -0.6926000    
 C   -1.438600      0.3305000      0.5721000    
 C   -3.111400      -1.833600      -1.726500    
 C   0.4884000       1.629700      0.1344000    
 C    1.971600       1.544000      6.6999998E-03
 C    2.718800      0.2819000      0.1454000    
 C    2.631400       2.680400     -0.2682000    
 C    2.958300     -0.5464000     -0.9411000    
 C    3.177100     -4.9100000E-02   1.413100    
 C    3.671400      -1.731100     -0.7569000    
 C    3.889900      -1.234000       1.597100    
 C    4.137000      -2.075000      0.5122000    
 H   -3.592700      -2.402300      0.9782000    
 H   -4.090300      0.7941000      -1.671800    
 H   -3.767000     -5.1300000E-02   2.405500    
 H   -5.194600     -0.8067000       1.685100    
 H   -5.462400      0.9202000      0.2550000    
 H   -4.045700       1.748600      0.9143000    
 H   -1.583600      -1.302300       1.969900    
 H   -1.235200      -1.818000      0.3444000    
 H   -1.598900      0.5172000      -1.589100    
 H   -2.148800       1.932600     -0.7284000    
 H   -1.706200      0.9725000       1.422000    
 H   -2.026600      -1.703300      -1.775000    
 H   -3.524500      -1.558700      -2.703100    
 H   -3.313600      -2.901600      -1.589400    
 H    2.126400       3.633400     -0.3880000    
 H    3.711700       2.692100     -0.3835000    
 H    2.991800      0.5943000       2.269600    
 H    3.872800      -2.398100      -1.591500    
 H    4.252100      -1.502100       2.585400    
 H    4.691900      -2.997400      0.6557000    


%chk=000046813-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046813

0 1
Cl 1.681364 0.225269 -2.382804
O -0.021693 0.540582 0.464911
O -0.089925 2.874214 0.387998
N -3.694448 -1.294492 -0.574207
C -3.393564 -1.206487 0.883166
C -3.560180 0.122617 -1.020542
C -4.339102 -0.045955 1.314034
C -4.452812 0.850588 0.028487
C -1.889630 -0.858990 1.141252
C -2.073487 0.606262 -0.963775
C -1.528997 0.480582 0.475583
C -3.017775 -2.335209 -1.361572
C 0.560832 1.799146 0.394942
C 2.065371 1.698901 0.391302
C 2.729415 0.370113 0.224551
C 2.772977 2.841316 0.608590
C 2.628037 -0.409530 -0.953995
C 3.532969 -0.153846 1.273948
C 3.266313 -1.655052 -1.098369
C 4.185509 -1.399672 1.153629
C 4.048109 -2.155594 -0.032216
H -3.640328 -2.161160 1.381919
H -3.941780 0.235020 -2.051504
H -3.940418 0.505973 2.184258
H -5.326391 -0.449801 1.593343
H -5.495966 0.885502 -0.327127
H -4.118530 1.889180 0.200967
H -1.685090 -0.810848 2.226958
H -1.246475 -1.655602 0.721370
H -1.455980 -0.013345 -1.641478
H -1.994232 1.653701 -1.305240
H -1.874287 1.339153 1.080945
H -1.906107 -2.247524 -1.419272
H -3.408444 -2.316447 -2.395408
H -3.254470 -3.325173 -0.930493
H 2.247246 3.791063 0.756642
H 3.867755 2.842630 0.621052
H 3.620156 0.428225 2.197803
H 3.161942 -2.217480 -2.030731
H 4.792294 -1.779250 1.982336
H 4.546423 -3.125177 -0.136251


