%chk=000095312.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095312

0 1
 Br  -2.943600       1.882900       1.254000    
 O  -0.5361000       1.655700     -0.4965000    
 N   0.3160000     -0.2443000      0.5789000    
 C   -2.884500     -0.6453000     -0.2638000    
 C   -2.050200      0.2188000      0.7197000    
 C   -4.298900     -0.9759000      0.2506000    
 C   -3.031700      0.1135000      -1.602800    
 C   -2.153200      -1.970700     -0.5727000    
 C  -0.6801000      0.6485000      0.1911000    
 C    1.698200     -0.1779000      0.2807000    
 C    2.539700      -1.174400      0.7463000    
 C    2.179100      0.8816000     -0.4704000    
 C    3.901700      -1.109500      0.4524000    
 C    3.541200      0.9463000     -0.7644000    
 C    4.402400     -4.9300000E-02 -0.3030000    
 H   -1.928900     -0.3147000       1.670100    
 H   -4.926700     -8.4299996E-02  0.3432000    
 H   -4.818300      -1.661100     -0.4295000    
 H   -4.249800      -1.459200       1.232600    
 H   -3.541300       1.074900      -1.487300    
 H   -2.067100      0.2929000      -2.088400    
 H   -3.629300     -0.4744000      -2.310800    
 H   -1.956800      -2.530300      0.3486000    
 H   -2.755900      -2.611800      -1.226600    
 H   -1.198100      -1.806000      -1.081900    
 H   3.6699999E-02  -1.046600       1.139100    
 H    2.159900      -2.004700       1.335000    
 H    1.581200       1.691400     -0.8607000    
 H    4.572500      -1.884600      0.8116000    
 H    3.932800       1.771800      -1.351800    
 H    5.463000      1.4000000E-03 -0.5317000    


%chk=000095312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095312

0 1
Br -2.169851 0.855442 1.984626
O -0.416088 0.166974 -1.419522
N 0.556083 -0.352884 0.649641
C -3.124656 -0.641968 -0.472301
C -1.883301 -0.532358 0.452216
C -4.351308 -1.094860 0.365898
C -3.452078 0.682702 -1.206403
C -2.808370 -1.764525 -1.514751
C -0.526416 -0.184558 -0.207777
C 1.942171 -0.149848 0.389407
C 2.836206 -0.329391 1.480566
C 2.451816 0.207060 -0.888132
C 4.222349 -0.155860 1.299930
C 3.843913 0.376710 -1.051143
C 4.736505 0.198123 0.030210
H -1.784618 -1.465831 1.038277
H -4.645703 -0.327559 1.102365
H -5.209268 -1.271323 -0.307727
H -4.147394 -2.037335 0.910404
H -3.679230 1.487627 -0.484745
H -2.608987 1.002352 -1.838748
H -4.341933 0.536596 -1.846162
H -2.537968 -2.717591 -1.019589
H -3.713233 -1.948885 -2.121969
H -1.989260 -1.465017 -2.187015
H 0.322881 -0.558911 1.625834
H 2.444383 -0.601520 2.469575
H 1.762696 0.350659 -1.721392
H 4.899376 -0.295810 2.149630
H 4.231249 0.653271 -2.038111
H 5.813934 0.333218 -0.111492


