%chk=000022357.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022357

0 1
 Br   5.252100      0.3880000      0.8485000    
 Cl  0.7536000      -2.588500     -0.3670000    
 N  -0.5461000      8.7200001E-02 -0.9582000    
 N   -1.304500      0.1499000      3.4100000E-02
 N   -3.754200      -2.032500      0.7532000    
 N   -3.797700       2.362800      0.4426000    
 C   0.7904000      0.1313000     -0.5397000    
 C    1.494900      -1.034400     -0.2387000    
 C    1.415600       1.373000     -0.4268000    
 C    2.824900     -0.9584000      0.1751000    
 C    2.745500       1.449100     -1.3100000E-02
 C    3.450200      0.2835000      0.2879000    
 C   -2.713600      0.1084000     -0.3550000    
 C   -3.293400      -1.085600      0.2651000    
 C   -3.317700       1.366100      9.2000000E-02
 H   0.8764000       2.287700     -0.6597000    
 H    3.374200      -1.867700      0.4098000    
 H    3.218000       2.424500      6.9499999E-02
 H   -2.831600      3.0200001E-02  -1.444500    


%chk=000022357-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022357

0 1
Br 5.477212 0.633558 0.462667
Cl 1.269822 -2.495610 -1.624108
N -0.566351 -0.393669 -0.452658
N -1.401439 0.474810 0.028784
N -4.136631 -0.368450 1.989631
N -3.947357 1.921651 -1.831931
C 0.812442 -0.102974 -0.210769
C 1.776652 -1.020231 -0.713879
C 1.271596 1.044530 0.500199
C 3.156442 -0.811884 -0.520291
C 2.640309 1.270424 0.703212
C 3.571068 0.334473 0.188072
C -2.835665 0.033055 -0.307018
C -3.570131 -0.175928 0.959488
C -3.466519 1.081513 -1.137586
H 0.523187 1.745228 0.883314
H 3.881334 -1.528004 -0.913430
H 2.986358 2.152132 1.248572
H -2.805329 -0.920025 -0.877168


