%chk=000042516.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042516

0 1
 Cl  -1.462300       4.942900       1.755400    
 Cl  -5.931500      -2.942400      0.3025000    
 N    1.160500      0.5906000      -1.126700    
 N    2.437200      0.4209000      -1.722200    
 N    3.732900      -2.662100       1.023300    
 C    3.276900     -0.5739000      -1.035800    
 C   0.7236000       1.723600     -0.4780000    
 C    3.374600     -0.3019000      0.4669000    
 C  -0.5813000       1.473400     -4.7699999E-02
 C  -0.9111000      0.1522000     -0.4608000    
 C   0.1796000     -0.3644000      -1.121600    
 C    4.258300      -1.312600       1.200200    
 C    2.378500      0.1467000      -3.166900    
 C    1.377000       2.938300     -0.2414000    
 C   -2.122100     -0.5951000     -0.2762000    
 C   -1.269700       2.483400      0.6531000    
 C   0.6743000       3.925300      0.4556000    
 C  -0.6287000       3.703600      0.8969000    
 C   -2.502600      -1.552300      -1.217400    
 C   -2.921300     -0.3646000      0.8444000    
 C    2.389300      -2.770100       1.593800    
 C    4.625900      -3.646700       1.636200    
 C   -3.680400      -2.277800      -1.038600    
 C   -4.099100      -1.090200       1.023300    
 C   -4.478600      -2.046900      8.1799999E-02
 H    2.882100      -1.580800      -1.218100    
 H    4.287800     -0.5431000      -1.461700    
 H    2.395600     -0.2417000      0.9517000    
 H    3.825200      0.6903000      0.6090000    
 H   0.3498000      -1.332800      -1.575500    
 H    4.326200      -1.040100       2.261300    
 H    5.272600      -1.249600      0.7859000    
 H    3.384200      0.1790000      -3.600300    
 H    1.789000      0.9163000      -3.678100    
 H    1.938800     -0.8316000      -3.390100    
 H    2.391600       3.116700     -0.5818000    
 H   -2.295200       2.348100      0.9813000    
 H    1.166800       4.876000      0.6491000    
 H   -1.916500      -1.748700      -2.111600    
 H   -2.637700      0.3274000       1.629900    
 H    1.645000      -2.224200       1.007300    
 H    2.052000      -3.813800       1.574900    
 H    2.347900      -2.427500       2.634200    
 H    5.624500      -3.592100       1.188500    
 H    4.259400      -4.663700       1.457600    
 H    4.723700      -3.499200       2.717900    
 H   -3.966100      -3.017600      -1.782100    
 H   -4.705200     -0.9087000       1.907200    


%chk=000042516-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042516

0 1
Cl -1.706444 5.169551 1.410720
Cl -6.023698 -3.100386 0.513182
N 1.237367 0.637071 -1.131612
N 2.566093 0.540978 -1.646757
N 3.646426 -2.759492 1.060962
C 3.359742 -0.531099 -0.967074
C 0.733554 1.799548 -0.533185
C 3.503189 -0.283778 0.543454
C -0.615468 1.518072 -0.117509
C -0.904024 0.132450 -0.477713
C 0.251323 -0.360321 -1.100858
C 4.271301 -1.424892 1.245008
C 2.562244 0.423683 -3.129986
C 1.348517 3.055183 -0.353450
C -2.142654 -0.633526 -0.243391
C -1.375474 2.562844 0.477940
C 0.589286 4.072700 0.255959
C -0.750214 3.805447 0.647772
C -2.562177 -1.644740 -1.154600
C -2.949388 -0.400798 0.906878
C 2.326719 -2.877363 1.718199
C 4.556282 -3.849986 1.470173
C -3.730654 -2.401819 -0.929655
C -4.126304 -1.142513 1.142917
C -4.501222 -2.135827 0.218845
H 2.933773 -1.545274 -1.138117
H 4.358425 -0.515561 -1.443482
H 2.504029 -0.157627 0.999595
H 4.045503 0.665790 0.712795
H 0.451178 -1.360507 -1.481075
H 4.378763 -1.168918 2.331741
H 5.296134 -1.480841 0.827371
H 3.600851 0.528895 -3.487455
H 1.959474 1.241948 -3.555611
H 2.159769 -0.547907 -3.497697
H 2.377924 3.224159 -0.680269
H -2.417821 2.422234 0.773817
H 1.017013 5.065069 0.423048
H -1.980526 -1.824988 -2.065662
H -2.636273 0.339280 1.649772
H 1.615902 -2.143864 1.300120
H 1.914580 -3.885468 1.534600
H 2.374901 -2.718851 2.825761
H 5.501353 -3.781461 0.902013
H 4.091797 -4.826616 1.244364
H 4.807058 -3.833375 2.561631
H -4.043623 -3.171958 -1.640740
H -4.733106 -0.956644 2.033864


