%chk=000086910.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086910

0 1
 Cl   6.696300     -0.7376000      -1.570600    
 N   0.5161000      0.5710000      0.6099000    
 C   -1.904000      0.9748000      0.5059000    
 C  -0.6902000      0.8744000       1.377400    
 C   -2.708000     -0.1402000      0.2178000    
 C   -3.842400      2.0900000E-02 -0.6130000    
 C    1.677000      0.4908000       1.483100    
 C   -2.213800       2.230300     -1.7800000E-02
 C   -2.411200      -1.411300      0.7360000    
 C    2.935500      0.1825000      0.7164000    
 C   -4.139400       1.292100      -1.131100    
 C   -3.329400       2.388700     -0.8344000    
 C   -4.646500      -1.093800     -0.9011000    
 C   -3.221000      -2.507900      0.4391000    
 C   -4.336600      -2.349500     -0.3780000    
 C    3.310700      -1.139300      0.5218000    
 C    3.703200       1.224800      0.2157000    
 C    4.477300      -1.424800     -0.1876000    
 C    4.869700      0.9394000     -0.4939000    
 C    5.256800     -0.3854000     -0.6956000    
 H  -0.5525000       1.839400       1.886000    
 H  -0.8414000      0.1628000       2.196900    
 H   0.3926000     -0.3231000      0.1337000    
 H    1.814900       1.437000       2.022900    
 H    1.529600     -0.2791000       2.252300    
 H   -1.593300       3.096000      0.1993000    
 H   -1.547500      -1.601800       1.365500    
 H   -5.006300       1.439200      -1.772000    
 H   -3.569900       3.366300      -1.242300    
 H   -5.523200     -0.9932000      -1.537500    
 H   -2.978900      -3.486700      0.8429000    
 H   -4.966100      -3.203800     -0.6095000    
 H    2.709800      -1.956100      0.9116000    
 H    3.409900       2.260100      0.3658000    
 H    4.766400      -2.461900     -0.3374000    
 H    5.466900       1.759500     -0.8842000    


%chk=000086910-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086910

0 1
Cl 6.771458 -0.714017 -1.694638
N 0.477021 0.544293 0.784760
C -1.936904 1.124273 0.663737
C -0.720360 0.957133 1.560920
C -2.678362 -0.027428 0.198754
C -3.817250 0.171735 -0.678656
C 1.646088 0.199403 1.617698
C -2.339305 2.403808 0.263287
C -2.333323 -1.373182 0.567856
C 2.895349 -0.047108 0.780181
C -4.189778 1.502790 -1.059986
C -3.464409 2.600117 -0.595830
C -4.552667 -0.968103 -1.146243
C -3.068300 -2.463550 0.096702
C -4.187734 -2.261905 -0.771049
C 3.852369 -1.011238 1.182650
C 3.136687 0.703904 -0.398214
C 5.037001 -1.219686 0.439927
C 4.311763 0.507081 -1.156867
C 5.246629 -0.451934 -0.721038
H -0.490674 1.923358 2.049419
H -0.954093 0.236654 2.385614
H 0.258854 -0.183485 0.090559
H 1.823681 1.059984 2.297182
H 1.471302 -0.682781 2.285071
H -1.771825 3.274506 0.611846
H -1.486663 -1.547902 1.241383
H -5.052893 1.643391 -1.721595
H -3.750236 3.616523 -0.887245
H -5.411980 -0.804218 -1.807763
H -2.790520 -3.481388 0.392191
H -4.755336 -3.125214 -1.135027
H 3.678104 -1.610249 2.084829
H 2.386757 1.436259 -0.714151
H 5.773918 -1.964869 0.753303
H 4.496728 1.087544 -2.065567


