%chk=000041828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041828

0 1
 Cl  -4.539200       3.618400      0.5278000    
 O   -2.413000     -0.9982000       1.318800    
 O   -2.398900      -1.575400      -1.021500    
 O    1.611300      -1.307900      0.2070000    
 N    4.750400      0.5689000     -0.1921000    
 C   -2.072500      -1.997100      0.3258000    
 C  -0.5685000      -2.257200      0.3992000    
 C   0.2276000     -0.9917000      0.1408000    
 C   -2.857200      -3.271500      0.6355000    
 C    3.882100     -0.5718000      5.8600001E-02
 C   -2.930700     -8.8999998E-03  0.5390000    
 C   -2.922500     -0.3383000     -0.7971000    
 C    2.420300     -0.1628000     -2.6600000E-02
 C    6.158500      0.1672000     -0.1516000    
 C    4.500700       1.634300      0.7820000    
 C   -3.420800       1.200800      0.9856000    
 C   -3.403500      0.5238000      -1.760600    
 C    6.443100     -0.9381000      -1.154300    
 C    5.352700       2.857300      0.4884000    
 C   -3.914200       2.092400      3.0200001E-02
 C   -3.905600       1.755900      -1.335000    
 H  -0.2932000      -2.646900       1.387600    
 H  -0.2726000      -3.018100     -0.3342000    
 H   7.1999999E-03 -0.5876000     -0.8533000    
 H   3.1000001E-03 -0.2293000      0.8949000    
 H   -3.935100      -3.080500      0.5799000    
 H   -2.645300      -3.633700       1.646800    
 H   -2.631800      -4.062800     -8.7099999E-02
 H    4.082000      -1.034800       1.034400    
 H    4.015300      -1.361700     -0.6889000    
 H    2.193400      0.2531000      -1.015900    
 H    2.147600      0.5652000      0.7413000    
 H    6.462700     -0.1587000      0.8512000    
 H    6.805800       1.001800     -0.4400000    
 H    4.669300       1.298500       1.812800    
 H    3.474000       2.002800      0.7151000    
 H   -3.419400       1.443300       2.043100    
 H   -3.395100      0.2601000      -2.812000    
 H    7.526600      -1.050000      -1.276700    
 H    6.027200     -0.7101000      -2.141800    
 H    6.067900      -1.911400     -0.8233000    
 H    4.986600       3.709100       1.073100    
 H    5.303900       3.143000     -0.5680000    
 H    6.400300       2.715400      0.7710000    
 H   -4.290500       2.452400      -2.076200    


%chk=000041828-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041828

0 1
Cl -5.553501 3.405896 -0.235880
O -2.485442 -0.643216 1.269974
O -2.313126 -1.578647 -0.941825
O 1.709860 -1.210815 0.506449
N 5.052937 0.437157 0.140813
C -2.026084 -1.880321 0.516251
C -0.523016 -2.058445 0.709493
C 0.309282 -0.850524 0.264859
C -2.888723 -3.060990 0.950732
C 4.059404 -0.636138 0.398524
C -3.226201 0.122295 0.349049
C -3.127658 -0.426549 -0.951092
C 2.634678 -0.134553 0.124111
C 6.320688 -0.059424 -0.455445
C 5.262585 1.317382 1.322293
C -3.951390 1.288101 0.611736
C -3.751531 0.169967 -2.049504
C 6.172677 -0.437729 -1.941537
C 5.727012 2.736538 0.942953
C -4.583336 1.883284 -0.509398
C -4.500222 1.357874 -1.812951
H -0.327707 -2.261705 1.778196
H -0.199738 -2.949013 0.140078
H 0.144804 -0.637213 -0.812517
H 0.036416 0.052042 0.851832
H -3.954819 -2.841086 0.772952
H -2.742413 -3.261171 2.025659
H -2.612188 -3.961885 0.377114
H 4.111146 -1.024000 1.443091
H 4.258793 -1.493699 -0.267767
H 2.521131 0.116027 -0.951981
H 2.415680 0.782403 0.715589
H 6.729925 -0.929839 0.118359
H 7.070214 0.748710 -0.372624
H 5.986188 0.862355 2.046154
H 4.297585 1.395413 1.857582
H -4.025054 1.713414 1.614424
H -3.668870 -0.254314 -3.053003
H 7.141032 -0.778837 -2.353441
H 5.826974 0.435718 -2.521389
H 5.441372 -1.253793 -2.087132
H 5.836264 3.362535 1.848458
H 4.990279 3.209282 0.270341
H 6.702850 2.727548 0.424444
H -5.008760 1.859165 -2.640322


