%chk=000042817.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042817

0 1
 Br   3.605800       1.743700      0.2893000    
 O   -1.469600      -1.482800     -0.3149000    
 O   -2.292400       1.543000       1.009100    
 N   -2.172600       1.754700      -1.271200    
 C   0.9129000      -1.395300     -0.1734000    
 C  -0.3251000     -0.7525000     -0.1781000    
 C  -0.3915000      0.6342000     -4.3400001E-02
 C    2.084600     -0.6514000     -3.4000002E-02
 C   0.7801000       1.378100      9.5899999E-02
 C    2.018200      0.7355000      0.1006000    
 C    1.004200      -2.879000     -0.3165000    
 C   -1.672900       1.326300     -4.5899998E-02
 C   -2.081800      -1.954500      0.8826000    
 H    3.049200      -1.154000     -2.8300000E-02
 H   0.7240000       2.459600      0.2008000    
 H    2.000900      -3.187000     -0.6518000    
 H   0.8040000      -3.365500      0.6429000    
 H   0.2946000      -3.250200      -1.063400    
 H   -1.441200      -2.688000       1.381000    
 H   -3.023000      -2.442600      0.6146000    
 H   -2.301600      -1.129900       1.567000    
 H   -1.676700       1.592900      -2.142100    
 H   -3.057600       2.247300      -1.330500    


%chk=000042817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042817

0 1
Br 3.589383 1.868390 -0.038165
O -1.477421 -1.654515 -0.324454
O -2.732810 0.927993 0.670139
N -1.970044 2.260379 -1.069388
C 0.945462 -1.467964 -0.124858
C -0.336113 -0.845820 -0.158679
C -0.456930 0.571726 -0.162905
C 2.100189 -0.647554 -0.090557
C 0.710289 1.377365 -0.134838
C 1.969867 0.754194 -0.091533
C 1.067323 -2.978451 -0.151743
C -1.814126 1.238920 -0.146345
C -2.143485 -2.104652 0.922961
H 3.092148 -1.109523 -0.069573
H 0.626560 2.468085 -0.112397
H 2.053821 -3.293066 -0.531632
H 0.948053 -3.408203 0.861759
H 0.278275 -3.417499 -0.785130
H -1.437661 -2.670086 1.562574
H -2.959145 -2.764186 0.590099
H -2.547397 -1.227394 1.456075
H -1.278889 2.436494 -1.796625
H -2.854849 2.767968 -1.084484


