%chk=000050685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050685

0 1
 Cl -1.0500000E-02   4.927000     -4.0000002E-03
 N    1.054500       1.046300      9.2200004E-02
 N   -1.924600     -0.5724000       1.336900    
 N   -1.478400     -0.2647000     -0.8187000    
 C   0.4411000     -0.1075000      0.7663000    
 C    2.447600       1.188100      0.5047000    
 C   0.3011000       2.261100      0.3880000    
 C  -0.9714000     -0.3086000      0.3930000    
 C    3.260400     -3.2499999E-02  0.1639000    
 C   -3.126800     -0.7083000      0.6912000    
 C   -2.821800     -0.5117000     -0.6528000    
 C   0.8909000       3.437600     -0.3741000    
 C    3.360200      -1.066300       1.084600    
 C    3.899000     -0.1067000      -1.066200    
 C   -4.415500     -0.9779000       1.153400    
 C   -3.851200     -0.5848000      -1.606500    
 C   -5.427700      -1.047300      0.1906000    
 C   -5.152700     -0.8544000      -1.165200    
 C    4.113700      -2.197000      0.7690000    
 C    4.652400      -1.237400      -1.382000    
 C    4.759800      -2.282500     -0.4643000    
 H   0.5379000     -1.9600000E-02   1.856900    
 H   0.9222000      -1.041200      0.4596000    
 H    2.531500       1.398400       1.580400    
 H    2.951900       2.017700      7.9999998E-04
 H   0.3011000       2.471100       1.466300    
 H  -0.7461000       2.173500      7.7299997E-02
 H   -1.774400     -0.6539000       2.333900    
 H    1.916800       3.677500     -9.4499998E-02
 H   0.8459000       3.280900      -1.456500    
 H    2.877200      -1.008200       2.056000    
 H    3.820400      0.6996000      -1.790000    
 H   -4.626300      -1.127100       2.206300    
 H   -3.647900     -0.4364000      -2.662200    
 H   -6.447700      -1.255100      0.5044000    
 H   -5.960600     -0.9144000      -1.890000    
 H    4.200400      -3.009100       1.484900    
 H    5.155000      -1.304400      -2.342400    
 H    5.347100      -3.162500     -0.7098000    


%chk=000050685-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050685

0 1
Cl -0.056492 4.814729 -0.734197
N 1.159464 1.209567 0.904982
N -2.092602 -0.570673 1.471094
N -1.236626 0.162518 -0.511286
C 0.332537 0.168199 1.510137
C 2.610845 1.081768 1.100451
C 0.611159 2.575594 0.841394
C -0.979357 -0.048916 0.790702
C 3.217941 -0.153665 0.431404
C -3.136440 -0.711683 0.543035
C -2.582704 -0.240953 -0.696600
C 0.574905 3.024055 -0.627636
C 4.394066 -0.738300 0.963449
C 2.648392 -0.700933 -0.746396
C -4.461760 -1.178570 0.652498
C -3.376798 -0.232978 -1.865367
C -5.237433 -1.164038 -0.527243
C -4.704193 -0.699007 -1.765197
C 5.003526 -1.841455 0.323978
C 3.254107 -1.807451 -1.383080
C 4.434838 -2.379504 -0.853833
H 0.109214 0.360517 2.593448
H 0.910754 -0.777090 1.478583
H 2.897984 1.084257 2.182368
H 3.076358 1.986237 0.661302
H 1.205442 3.292959 1.446546
H -0.417905 2.588783 1.242808
H -2.129889 -0.796220 2.463902
H 1.574899 3.041786 -1.087061
H -0.121265 2.403078 -1.207173
H 4.835842 -0.329028 1.881560
H 1.725571 -0.259201 -1.141143
H -4.880842 -1.536611 1.598776
H -2.963180 0.125554 -2.812743
H -6.273788 -1.517401 -0.490909
H -5.342726 -0.704798 -2.655138
H 5.914262 -2.282838 0.744826
H 2.803355 -2.223987 -2.291180
H 4.903043 -3.237400 -1.349657


