%chk=000031474.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031474

0 1
 Cl   2.068300      -4.581800     -9.8999999E-03
 N    2.529800     -0.5449000     -0.1833000    
 N    2.151500       1.528500      0.5221000    
 N   -3.130800       1.380300     -0.2440000    
 N   -2.761000     -0.7384000      0.3162000    
 C    3.761400      5.6699999E-02 -0.1377000    
 C    1.663900      0.3916000      0.2179000    
 C    3.498500       1.350000      0.3053000    
 C    2.286300      -1.912200     -0.5922000    
 C    5.043400     -0.4053000     -0.4370000    
 C    6.094200      0.5031000     -0.2723000    
 C    4.566200       2.249300      0.4653000    
 C   0.2458000     -6.3999998E-03  0.2599000    
 C    5.862100       1.807300      0.1707000    
 C    2.340900      -2.915400      0.5551000    
 C   -4.371100      0.8006000     -0.1661000    
 C   -2.202500      0.4216000      5.2400000E-02
 C   -4.113500     -0.5217000      0.1850000    
 C  -0.8506000      0.8048000      3.0600000E-02
 C   -5.656900       1.303800     -0.3665000    
 C    7.489800      6.9600001E-02 -0.5807000    
 C   -6.717200      0.4071000     -0.1977000    
 C   -5.190600      -1.408700      0.3503000    
 C   -6.490400     -0.9254000      0.1544000    
 C   -8.117600      0.8858000     -0.3981000    
 H    3.037600      -2.166800      -1.349800    
 H    1.324400      -1.956900      -1.114900    
 H    5.218700      -1.419200     -0.7798000    
 H    4.396000       3.264800      0.8083000    
 H   3.2600001E-02  -1.048500      0.4900000    
 H    6.690900       2.501500      0.2907000    
 H    3.318700      -2.892700       1.046900    
 H    1.583400      -2.696800       1.313500    
 H  -0.6325000       1.846900     -0.2031000    
 H   -2.947600       2.347200     -0.4799000    
 H   -5.818900       2.341400     -0.6379000    
 H    7.736100      0.3092000      -1.619900    
 H    8.211100      0.5674000      7.6300003E-02
 H    7.612600      -1.008600     -0.4313000    
 H   -5.024700      -2.445800      0.6242000    
 H   -7.327000      -1.608500      0.2833000    
 H   -8.549700       1.192600      0.5596000    
 H   -8.152500       1.737700      -1.085900    
 H   -8.743500      9.8600000E-02 -0.8319000    


%chk=000031474-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031474

0 1
Cl 2.248966 -4.692158 0.703158
N 2.606513 -0.707180 -0.333982
N 2.101800 1.522865 -0.079825
N -3.219573 1.552409 -0.001816
N -2.759598 -0.677858 -0.225055
C 3.834654 -0.030584 -0.262587
C 1.584361 0.274647 -0.210142
C 3.494214 1.357817 -0.110947
C 2.439714 -2.160166 -0.459956
C 5.169696 -0.482502 -0.321000
C 6.196925 0.484434 -0.227198
C 4.528692 2.319995 -0.016645
C 0.176201 -0.056977 -0.223933
C 5.859634 1.870458 -0.075717
C 2.350055 -2.823361 0.926885
C -4.462930 0.915112 -0.043403
C -2.219136 0.562303 -0.114450
C -4.149475 -0.484357 -0.183416
C -0.810614 0.891015 -0.105466
C -5.788128 1.393854 0.023132
C 7.657764 0.071958 -0.287100
C -6.833702 0.445862 -0.051532
C -5.204538 -1.426379 -0.257139
C -6.524939 -0.948664 -0.190416
C -8.286082 0.886414 0.014480
H 3.300341 -2.572125 -1.014451
H 1.535100 -2.387033 -1.048073
H 5.421015 -1.543263 -0.434835
H 4.284850 3.380174 0.098795
H -0.131349 -1.103653 -0.332582
H 6.676019 2.599257 -0.003735
H 3.246949 -2.635467 1.534788
H 1.441308 -2.532305 1.473415
H -0.515295 1.942298 0.001773
H -3.051701 2.552545 0.092681
H -6.013762 2.460716 0.129209
H 8.167442 0.529115 -1.156491
H 8.204942 0.399394 0.616989
H 7.771001 -1.022676 -0.370356
H -4.983774 -2.492513 -0.363633
H -7.356327 -1.661796 -0.246267
H -8.804131 0.430600 0.879526
H -8.377582 1.982291 0.108094
H -8.839920 0.578885 -0.892675


