%chk=000042574.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042574

0 1
 I    7.643800       2.780900      0.1580000    
 I    6.550800      -2.696800      -2.024200    
 Cl  -1.963500     -0.6282000       3.314900    
 Cl  -6.894000       3.311900      -1.799300    
 O    2.513100      0.8707000       1.678800    
 O    4.547300       2.345000       1.044500    
 N    1.835600     -0.5299000     -7.7500001E-02
 N   -4.707700      -3.456800      0.2197000    
 C   -3.745600      -1.064800      0.8387000    
 C   -2.273500     -0.9211000      0.6234000    
 C  -0.4168000     -0.8623000     -0.9211000    
 C   -1.784700     -0.9919000     -0.6811000    
 C   0.4433000     -0.6637000      0.1463000    
 C   -4.548600      5.2900001E-02  0.1649000    
 C   -1.394500     -0.7209000       1.687900    
 C  -2.6600000E-02 -0.5912000       1.447800    
 C   7.9000004E-02 -0.9421000      -2.328500    
 C   -4.640400       1.269300      0.7988000    
 C   -5.145600     -0.2061000      -1.046300    
 C    2.770300      0.2008000      0.6672000    
 C   -4.278200      -2.414000      0.4940000    
 C    4.139700      0.1696000      0.1709000    
 C   -5.372300       2.286400      0.1859000    
 C   -5.877500      0.8109000      -1.659300    
 C   -5.990800       2.057300      -1.043300    
 C    5.002000       1.247600      0.3710000    
 C    4.583800     -0.9606000     -0.5151000    
 C    6.308600       1.195400     -0.1149000    
 C    5.890200      -1.013100      -1.001100    
 C    6.752700      6.4900003E-02 -0.8010000    
 H   -4.004200     -0.9731000       1.899700    
 H   -2.458200      -1.159200      -1.517300    
 H   0.6433000     -0.4721000       2.293600    
 H   0.6479000     -4.3600000E-02  -2.590200    
 H   0.7101000      -1.826900      -2.462800    
 H  -0.7451000      -1.017600      -3.046600    
 H    2.140600     -0.8418000     -0.9951000    
 H   -4.162100       1.455800       1.755100    
 H   -5.061800      -1.154600      -1.565600    
 H   -5.452000       3.252500      0.6776000    
 H   -6.350200      0.6199000      -2.619400    
 H    3.939500      -1.825500     -0.6530000    
 H    7.771300      2.1400001E-02  -1.181100    
 H    3.584100       2.315300       1.152900    


%chk=000042574-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042574

0 1
I 8.130195 1.727049 1.517288
I 6.328394 -1.141203 -3.615072
Cl -2.098962 0.302373 3.300421
Cl -7.097045 3.193688 -2.242943
O 2.627684 0.663752 1.816302
O 5.023688 1.324563 2.094147
N 1.821129 -0.334017 -0.134689
N -4.577572 -3.504918 0.503849
C -3.853946 -0.976869 0.966747
C -2.344117 -0.807248 0.719434
C -0.406874 -1.049498 -0.815105
C -1.774261 -1.198240 -0.518334
C 0.441156 -0.471637 0.185039
C -4.688400 0.033375 0.147725
C -1.467376 -0.244193 1.669782
C -0.094723 -0.066394 1.432108
C 0.143824 -1.495265 -2.158762
C -4.525218 1.416280 0.416970
C -5.599052 -0.371118 -0.855936
C 2.845608 0.186853 0.633089
C -4.257148 -2.374980 0.710838
C 4.222016 0.196596 0.062101
C -5.254711 2.383491 -0.304979
C -6.335572 0.587134 -1.590408
C -6.150464 1.951254 -1.303585
C 5.265192 0.795385 0.859187
C 4.547569 -0.351745 -1.210264
C 6.592718 0.834284 0.338565
C 5.862659 -0.300503 -1.691503
C 6.895857 0.295130 -0.922916
H -4.038681 -0.780777 2.041667
H -2.432262 -1.642224 -1.274351
H 0.560120 0.372576 2.184651
H 0.595162 -0.656593 -2.726514
H 0.907870 -2.292076 -2.054296
H -0.658183 -1.909067 -2.790264
H 2.075492 -0.666171 -1.065335
H -3.826636 1.746159 1.194030
H -5.751231 -1.435237 -1.067274
H -5.130828 3.449523 -0.094460
H -7.040990 0.273712 -2.365141
H 3.788555 -0.832707 -1.835397
H 7.919481 0.333543 -1.302695
H 4.012981 1.186559 2.294082


