%chk=000100447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100447

0 1
 Br -0.6068000       2.884100      0.3271000    
 Br -0.6055000      -2.884300      0.3239000    
 Cl  -5.228500      9.9999997E-05 -0.5603000    
 N   0.5925000     -1.9999999E-04  0.5565000    
 N    1.473300      1.3000000E-03 -0.4570000    
 N    4.250600      9.9999997E-05  -2.276000    
 N    3.611500     -1.6000000E-03   2.267600    
 C  -0.7980000     -1.9999999E-04  0.2876000    
 C   -1.482900       1.207800      0.1561000    
 C   -1.483000      -1.208100      0.1566000    
 C   -2.852900       1.207800     -0.1064000    
 C   -2.852900      -1.208100     -0.1058000    
 C   -3.537900     -1.9999999E-04 -0.2375000    
 C    2.733300      1.2000001E-03 -0.1733000    
 C    3.570600      1.3000000E-03  -1.335700    
 C    3.216500     -8.9999998E-04   1.176500    
 H   -3.391800       2.147300     -0.2093000    
 H   -3.391800      -2.147700     -0.2088000    
 H   0.8435000     -0.5095000       1.399500    


%chk=000100447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100447

0 1
Br -0.464004 2.771006 -0.522156
Br -0.840710 -2.878778 1.144866
Cl -5.393920 0.082670 -0.433783
N 0.599746 -0.231331 0.400846
N 1.495077 0.369882 -0.404703
N 4.549816 1.370430 -1.735164
N 3.619264 -1.302466 1.854118
C -0.794366 -0.099199 0.184344
C -1.429647 1.099199 -0.259449
C -1.634926 -1.213342 0.480891
C -2.824664 1.148904 -0.461793
C -3.028936 -1.176176 0.311457
C -3.602670 0.011879 -0.179259
C 2.804978 0.193023 -0.159427
C 3.746320 0.840792 -1.024597
C 3.297523 -0.613866 0.927422
H -3.294982 2.070798 -0.810945
H -3.645121 -2.047630 0.541617
H 0.901021 -0.905595 1.127015


