%chk=000045339.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045339

0 1
 Cl   3.161900       3.007000       1.472300    
 O  -0.2519000      -1.115900     -0.2231000    
 N    2.538500     -0.6514000     -9.3199998E-02
 C    1.916900      -1.849800      0.4691000    
 C   -1.164900       1.536500     -0.7660000    
 C   0.4897000      -1.559800      0.9055000    
 C    2.554100      0.4275000      0.8941000    
 C    3.896300     -0.9461000     -0.5498000    
 C   -2.063800      0.4530000     -0.2685000    
 C   -1.575200     -0.8248000     -1.7300000E-02
 C   -1.579300       2.050900      -2.156900    
 C   -1.064600       2.715100      0.2198000    
 C    3.121400       1.693900      0.2715000    
 C   -3.413700      0.7316000     -5.3800002E-02
 C    3.893500      -2.023100      -1.621300    
 C   -2.421100      -1.827100      0.4462000    
 C   -4.267100     -0.2691000      0.4107000    
 C   -3.770900      -1.548400      0.6606000    
 H    2.490800      -2.245200       1.316500    
 H    1.846200      -2.637200     -0.2885000    
 H  -0.1441000       1.152800     -0.8814000    
 H   0.4080000     -0.8552000       1.739400    
 H   7.2499998E-02  -2.508000       1.267300    
 H    3.132200      0.1434000       1.783300    
 H    1.546400      0.6918000       1.225500    
 H    4.350300     -8.0700003E-02  -1.038800    
 H    4.553800      -1.244300      0.2764000    
 H   -1.633400       1.226100      -2.876200    
 H  -0.8479000       2.775400      -2.531300    
 H   -2.556700       2.544900      -2.138200    
 H   -2.020400       3.237000      0.3359000    
 H  -0.3269000       3.445600     -0.1300000    
 H  -0.7484000       2.367600       1.209700    
 H    2.516700       2.034600     -0.5750000    
 H    4.159200       1.602600     -4.9400002E-02
 H    3.720800      -3.022500      -1.210400    
 H    3.147600      -1.822500      -2.398200    
 H    4.873300      -2.055300      -2.111700    
 H   -3.823700       1.720100     -0.2413000    
 H   -2.058800      -2.834600      0.6281000    
 H   -5.318400     -5.2600000E-02  0.5768000    
 H   -4.436700      -2.328600       1.017800    


%chk=000045339-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045339

0 1
Cl 3.861643 0.857813 4.156028
O -0.141790 -0.852012 -0.076405
N 2.845395 -0.915127 0.544015
C 1.928252 -2.043869 0.320349
C -1.197059 1.099690 -1.840523
C 0.503174 -1.803004 0.836232
C 3.398348 -0.780553 1.901651
C 3.749641 -0.564541 -0.574586
C -1.995494 0.566923 -0.646880
C -1.445878 -0.412872 0.232522
C -1.860009 0.691440 -3.183849
C -1.010340 2.638054 -1.760472
C 3.105691 0.635472 2.422489
C -3.307203 1.023095 -0.379191
C 3.029121 0.153266 -1.733697
C -2.186211 -0.903688 1.337357
C -4.059648 0.542962 0.717318
C -3.492680 -0.422055 1.576404
H 2.303672 -2.982425 0.797174
H 1.862086 -2.241091 -0.764542
H -0.195895 0.635965 -1.802803
H 0.520579 -1.392478 1.867297
H -0.063184 -2.759171 0.844813
H 4.493352 -0.970612 1.937306
H 2.926160 -1.516886 2.578869
H 4.534525 0.103480 -0.172617
H 4.278335 -1.468110 -0.966209
H -1.962323 -0.406192 -3.259554
H -1.251725 1.042882 -4.038497
H -2.869681 1.132797 -3.282734
H -1.981033 3.166443 -1.807860
H -0.391562 2.995515 -2.604956
H -0.512569 2.929633 -0.818074
H 2.027525 0.819773 2.533379
H 3.568860 1.415553 1.800101
H 2.217715 -0.468979 -2.151201
H 2.575348 1.094325 -1.376891
H 3.740981 0.381335 -2.549280
H -3.749069 1.775241 -1.043980
H -1.761709 -1.656347 2.008055
H -5.072542 0.918226 0.897794
H -4.060601 -0.804670 2.431853


