%chk=000070418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070418

0 1
 Cl   5.582300       3.356500      0.4677000    
 N   -1.909600      -1.161700     -0.5403000    
 N    2.279500      -1.389400     -0.8075000    
 N    1.369400      -3.065100       1.984100    
 C   0.9846000      -1.647600     -0.2043000    
 C   0.3148000     -0.3037000      0.1281000    
 C   0.1144000      -2.421800      -1.208600    
 C   -1.162100     -0.4583000      0.5096000    
 C   -1.355300      -2.500300     -0.7792000    
 C   -3.326700      -1.249800     -0.1885000    
 C    1.200100      -2.441100       1.020700    
 C   -3.948400      0.1061000     -1.7400000E-02
 C    3.049400     -0.2825000     -0.5102000    
 C   -3.941600      0.7129000       1.233100    
 C   -4.524900      0.7411000      -1.111100    
 C    3.414000      0.6399000      -1.512100    
 C    3.495600     -3.9400000E-02  0.8050000    
 C   -4.519500       1.972500       1.392300    
 C   -5.102800       2.000700     -0.9521000    
 C    4.191900       1.758100      -1.211600    
 C    4.273400       1.078900       1.105500    
 C   -5.100200       2.616300      0.2996000    
 C    4.621600       1.977600      9.7199999E-02
 H   0.3667000      0.3706000     -0.7393000    
 H   0.8103000      0.2113000      0.9603000    
 H   0.5022000      -3.438500      -1.357400    
 H   0.1592000      -1.932100      -2.192200    
 H   -1.250900     -0.9699000       1.476700    
 H   -1.512400      0.5692000      0.6381000    
 H   -1.914600      -2.993400      -1.583900    
 H   -1.452900      -3.132000      0.1133000    
 H   -3.475400      -1.841500      0.7259000    
 H   -3.873700      -1.784600     -0.9768000    
 H    2.402400      -1.741300      -1.753500    
 H   -3.507800      0.2184000       2.098000    
 H   -4.531300      0.2724000      -2.091200    
 H    3.085900      0.4848000      -2.537700    
 H    3.255900     -0.7267000       1.611300    
 H   -4.520700       2.450400       2.367600    
 H   -5.554600       2.502300      -1.802900    
 H    4.455400       2.450100      -2.007300    
 H    4.604000       1.235600       2.129100    
 H   -5.550800       3.596700      0.4235000    


%chk=000070418-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070418

0 1
Cl 7.056435 2.379987 0.379225
N -2.019686 -1.065127 -0.249327
N 2.160581 -0.847102 -1.169845
N 1.586142 -2.633834 1.778318
C 0.955475 -1.164652 -0.389303
C 0.154726 0.111289 0.037544
C 0.018081 -2.027637 -1.294244
C -1.197931 -0.248260 0.677319
C -1.331785 -2.324224 -0.616690
C -3.393928 -1.297681 0.260028
C 1.305789 -1.977326 0.821804
C -4.247052 -0.032400 0.280901
C 3.278355 -0.098793 -0.761505
C -5.175491 0.190443 1.327087
C -4.161926 0.913045 -0.772388
C 4.260270 0.235661 -1.740716
C 3.487114 0.332782 0.580034
C -6.012194 1.330498 1.318970
C -4.991904 2.055349 -0.780475
C 5.405618 0.980210 -1.400358
C 4.631425 1.084751 0.921971
C -5.923139 2.267187 0.263942
C 5.576821 1.404884 -0.068157
H -0.014866 0.698132 -0.883502
H 0.744881 0.732073 0.732397
H 0.522431 -2.976035 -1.558820
H -0.165470 -1.448218 -2.219497
H -1.030158 -0.780353 1.648848
H -1.749302 0.680593 0.905041
H -1.971730 -2.882723 -1.324601
H -1.165228 -2.985314 0.271584
H -3.389264 -1.755681 1.281464
H -3.866524 -2.040494 -0.414440
H 2.198849 -1.253733 -2.104728
H -5.243499 -0.529202 2.153006
H -3.431548 0.742060 -1.571318
H 4.122632 -0.086223 -2.780459
H 2.788980 0.060217 1.375218
H -6.725562 1.489769 2.135547
H -4.915436 2.779705 -1.599662
H 6.149398 1.229747 -2.162667
H 4.784438 1.405178 1.956606
H -6.568014 3.153153 0.257448


