%chk=000042528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042528

0 1
 Cl -0.7420000      -3.221100       4.061400    
 Cl  -7.018800       1.065200      -1.093600    
 N    2.204700      0.4771000     -0.9773000    
 N   0.9483000      0.1238000     -0.4207000    
 N    2.729800       3.713200      0.8260000    
 N    2.895700      -2.228700      -1.730700    
 C    2.542600       1.899400     -0.8070000    
 C    2.359300      6.8700001E-02  -2.382700    
 C   0.7572000     -0.6997000      0.6658000    
 C  -0.6203000     -0.7873000      0.8780000    
 C   -1.247900      1.1500000E-02 -0.1185000    
 C  -0.2577000      0.5588000     -0.9013000    
 C    2.377800       2.307900      0.6538000    
 C    2.005800      -1.406800      -2.543500    
 C    1.689000      -1.367000       1.468900    
 C   -2.640500      0.2652000     -0.3530000    
 C   -1.093500      -1.578800       1.943300    
 C    1.196300      -2.146300       2.519700    
 C  -0.1732000      -2.252000       2.754900    
 C    2.493300       4.137700       2.206600    
 C    4.127300       3.942700      0.4560000    
 C    4.285900      -2.056700      -2.155200    
 C    2.510600      -3.638600      -1.810800    
 C   -3.369400     -0.5692000      -1.201300    
 C   -3.267400       1.347500      0.2659000    
 C   -4.723000     -0.3217000      -1.430400    
 C   -4.621000       1.595000      3.6899999E-02
 C   -5.348900      0.7603000     -0.8113000    
 H    1.917300       2.533200      -1.449800    
 H    3.581200       2.013000      -1.132700    
 H    3.367300      0.2925000      -2.748200    
 H    1.685000      0.6514000      -3.025200    
 H  -0.3182000       1.222100      -1.755200    
 H    2.990200       1.666600       1.302600    
 H    1.334300       2.191800      0.9673000    
 H    2.100300      -1.672000      -3.605900    
 H   0.9569000      -1.599600      -2.290600    
 H    2.756500      -1.286400       1.293400    
 H   -2.161400      -1.662000       2.128100    
 H    1.906400      -2.671400       3.154900    
 H    2.706900       5.206100       2.323700    
 H    3.110500       3.581500       2.921600    
 H    1.440700       3.999800       2.478500    
 H    4.277100       3.899300     -0.6269000    
 H    4.812600       3.241900      0.9465000    
 H    4.434200       4.957300      0.7391000    
 H    4.686900      -1.079400      -1.870400    
 H    4.417200      -2.201400      -3.233800    
 H    4.930700      -2.782300      -1.644000    
 H    2.584400      -4.030200      -2.831800    
 H    1.481400      -3.776400      -1.460800    
 H    3.145000      -4.249300      -1.158800    
 H   -2.897000      -1.417300      -1.691600    
 H   -2.714600       2.007800      0.9302000    
 H   -5.277700     -0.9806000      -2.093600    
 H   -5.095400       2.441700      0.5263000    


%chk=000042528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042528

0 1
Cl -0.879651 -3.668018 3.726340
Cl -7.330418 1.481219 -0.768692
N 2.178598 0.481831 -1.012480
N 0.883950 0.123290 -0.538018
N 2.748167 3.689620 0.977924
N 3.326167 -2.277927 -1.846747
C 2.492363 1.919290 -0.767248
C 2.413977 0.027621 -2.412110
C 0.665892 -0.839487 0.458274
C -0.749501 -0.879627 0.714457
C -1.382898 0.093870 -0.172205
C -0.347669 0.682375 -0.911949
C 2.470528 2.254681 0.737729
C 2.312469 -1.498969 -2.588427
C 1.599165 -1.651191 1.134305
C -2.815013 0.423102 -0.299876
C -1.229823 -1.750528 1.732696
C 1.104095 -2.521725 2.124178
C -0.289091 -2.540852 2.406455
C 2.228521 4.154345 2.281547
C 4.170895 4.045958 0.799865
C 4.701296 -2.081555 -2.342217
C 2.961619 -3.707658 -1.758904
C -3.825500 -0.558853 -0.092999
C -3.231851 1.738897 -0.652886
C -5.194820 -0.246725 -0.231715
C -4.594907 2.065836 -0.805027
C -5.561470 1.064761 -0.587528
H 1.799797 2.614976 -1.295240
H 3.503662 2.082426 -1.181497
H 3.423099 0.383092 -2.687280
H 1.697541 0.500715 -3.127041
H -0.408597 1.434159 -1.696746
H 3.187176 1.580838 1.270493
H 1.462823 2.032584 1.133411
H 2.356391 -1.703547 -3.692356
H 1.313459 -1.829087 -2.247435
H 2.657443 -1.614736 0.861967
H -2.286826 -1.793731 2.005796
H 1.780171 -3.178916 2.678222
H 2.373356 5.246267 2.369041
H 2.726591 3.670232 3.159310
H 1.145848 3.947699 2.346131
H 4.509095 3.799953 -0.221674
H 4.846687 3.522145 1.523479
H 4.298268 5.134310 0.938440
H 5.005886 -1.025983 -2.236102
H 4.830525 -2.375907 -3.416154
H 5.398424 -2.687553 -1.737045
H 2.907132 -4.216754 -2.754904
H 1.979872 -3.809631 -1.263538
H 3.708323 -4.243345 -1.145841
H -3.542107 -1.590173 0.138711
H -2.480841 2.525708 -0.786460
H -5.959519 -1.013211 -0.075334
H -4.900070 3.081692 -1.072298


