%chk=000032124.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032124

0 1
 Cl  -6.279000       3.315200     -0.5347000    
 N    3.354000     -0.4316000      0.3772000    
 N  -0.2463000      0.4799000      7.8500003E-02
 C    4.579700      0.1180000     -0.1991000    
 C    5.784600     -0.7189000      0.2443000    
 C    4.740300       1.583600      0.2196000    
 C    7.093800     -0.1290000     -0.2773000    
 C    6.051000       2.170800     -0.3013000    
 C    7.252800       1.333700      0.1279000    
 C    2.191300      0.3186000     -7.2099999E-02
 C   0.9180000     -0.2832000      0.5147000    
 C   -1.471800     -8.7700002E-02  0.6220000    
 C   -2.689800      0.7759000      0.3297000    
 C   -1.683900      -1.531100      0.1900000    
 C   -3.742600      0.7690000       1.221800    
 C   -2.705900       1.539600     -0.8199000    
 C   -2.365200      -2.386600       1.031700    
 C   -1.188300      -1.942100      -1.030800    
 C   -4.859800       1.559800      0.9529000    
 C   -3.823000       2.330400      -1.088700    
 C   -2.559300      -3.710000      0.6358000    
 C   -1.382500      -3.265500      -1.426800    
 C   -4.900000       2.340600     -0.2024000    
 C   -2.068000      -4.149300     -0.5934000    
 H    4.518900      6.4499997E-02  -1.294900    
 H    5.684600      -1.749700     -0.1175000    
 H    5.826700     -0.7695000       1.340600    
 H    4.711200       1.676700       1.313100    
 H    3.949000       2.221200     -0.1860000    
 H    7.938900     -0.7115000      0.1065000    
 H    7.120200     -0.2099000      -1.371000    
 H    6.017600       2.225300      -1.396500    
 H    6.167800       3.196800      6.6000000E-02
 H    7.372200       1.399300       1.216400    
 H    8.165800       1.743000     -0.3189000    
 H    3.259000      -1.410900      0.1089000    
 H    2.129400      0.3152000      -1.167700    
 H    2.220500       1.357000      0.2700000    
 H   0.9859000     -0.2547000       1.610900    
 H   0.8887000      -1.337600      0.2269000    
 H   -1.347600     -8.1500001E-02   1.716200    
 H  -0.1446000       1.445400      0.3929000    
 H   -3.721500      0.1743000       2.129500    
 H   -1.892500       1.538800      -1.538500    
 H   -2.744000      -2.061400       1.995500    
 H  -0.6789000      -1.273900      -1.718300    
 H   -5.690900       1.559300       1.653500    
 H   -3.842600       2.930500      -1.994900    
 H   -3.091300      -4.398900       1.285600    
 H   -1.006500      -3.606100      -2.387100    
 H   -2.220300      -5.179400     -0.9022000    


%chk=000032124-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032124

0 1
Cl -6.351349 3.434556 -0.544873
N 3.413628 -0.159487 0.517943
N -0.317809 0.360780 0.177478
C 4.669646 0.314957 -0.117559
C 5.832911 -0.608430 0.313790
C 4.984770 1.780603 0.273949
C 7.183310 -0.151974 -0.286119
C 6.329306 2.250803 -0.331824
C 7.492158 1.318792 0.083550
C 2.158406 0.403480 -0.024869
C 0.945345 -0.211624 0.696575
C -1.556078 -0.250525 0.721521
C -2.746555 0.665101 0.408072
C -1.775105 -1.666698 0.152841
C -3.580262 1.145373 1.445938
C -3.029676 1.046108 -0.928822
C -2.521477 -2.614956 0.893975
C -1.276456 -2.030078 -1.121846
C -4.682647 1.986810 1.167977
C -4.120928 1.890141 -1.226375
C -2.777418 -3.900804 0.367471
C -1.526677 -3.316330 -1.649595
C -4.933414 2.345478 -0.168905
C -2.281319 -4.255814 -0.908874
H 4.598256 0.273437 -1.238125
H 5.615195 -1.653157 0.007605
H 5.888681 -0.598794 1.421312
H 5.022500 1.835925 1.380361
H 4.169894 2.452890 -0.057754
H 7.995733 -0.815926 0.067438
H 7.147263 -0.250190 -1.390978
H 6.250503 2.262989 -1.439190
H 6.539462 3.291152 -0.016654
H 7.645508 1.394355 1.179981
H 8.435309 1.643832 -0.397245
H 3.378177 -1.190338 0.508614
H 2.039877 0.243253 -1.125261
H 2.161388 1.499263 0.140422
H 1.071045 -0.068370 1.795939
H 0.922370 -1.304216 0.514346
H -1.505747 -0.352000 1.835329
H -0.340180 1.384685 0.275126
H -3.371658 0.865514 2.485499
H -2.393542 0.676904 -1.739261
H -2.909187 -2.345055 1.884871
H -0.682108 -1.293792 -1.675177
H -5.325934 2.356011 1.971774
H -4.339888 2.182829 -2.257403
H -3.358483 -4.624622 0.950336
H -1.133864 -3.587009 -2.636611
H -2.477078 -5.253432 -1.318111


