%chk=000116818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116818

0 1
 Br   3.881200       2.591600     -5.0000002E-04
 Br   5.814900      6.2700003E-02   0.000000    
 O   -1.652500      0.8588000       2.372500    
 O   -1.653600      0.8570000      -2.373100    
 O    1.008700       3.010500     -9.9999997E-05
 N   0.4109000     -0.5660000     -9.9999997E-05
 C   -1.161800       1.258700     -1.9999999E-04
 C   -1.935200      0.7319000       1.196000    
 C   -1.935200      0.7313000      -1.196200    
 C   0.2528000      0.7774000     -9.9999997E-05
 C   -3.116100      2.4499999E-02  0.6962000    
 C   -3.116100      2.4200000E-02 -0.6961000    
 C    1.297100       1.679700      9.9999997E-05
 C    1.663500      -1.059700      9.9999997E-05
 C   -4.118900     -0.5881000       1.422100    
 C   -4.119000     -0.5885000      -1.421700    
 C    2.795400     -0.2177000       0.000000    
 C    2.586700       1.168200       0.000000    
 C   -5.143500      -1.211200      0.7045000    
 C   -5.143700      -1.211300     -0.7039000    
 C    1.871400      -2.436200      3.9999999E-04
 C    4.088700     -0.7672000     -9.9999997E-05
 C    3.157000      -2.982800      3.9999999E-04
 C    4.267300      -2.147600      9.9999997E-05
 H   -1.269400       2.348900     -6.0000003E-04
 H   -4.120200     -0.5921000       2.506100    
 H   -4.120400     -0.5928000      -2.505700    
 H   -5.951600      -1.704300       1.238500    
 H   -5.951800      -1.704500      -1.237900    
 H    1.018000      -3.111900      6.0000003E-04
 H    3.286400      -4.061300      5.0000002E-04
 H    5.250100      -2.613600      9.9999997E-05
 H    1.844800       3.506500       0.000000    


%chk=000116818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116818

0 1
Br 3.975511 2.737763 0.000084
Br 6.035218 0.105399 0.000438
O -1.649438 0.790360 2.430586
O -1.649396 0.788717 -2.430939
O 0.943461 3.020849 -0.000211
N 0.526952 -0.590897 -0.000190
C -1.167847 1.167282 -0.000304
C -1.975431 0.654851 1.227318
C -1.975528 0.654232 -1.227595
C 0.275120 0.720501 -0.000215
C -3.209543 -0.006037 0.708976
C -3.209542 -0.006503 -0.708821
C 1.336155 1.691955 -0.000139
C 1.831197 -1.046719 -0.000079
C -4.272449 -0.578513 1.438732
C -4.272419 -0.579513 -1.438200
C 3.002711 -0.149179 0.000045
C 2.672694 1.253506 -0.000005
C -5.338820 -1.154885 0.712301
C -5.338802 -1.155386 -0.711389
C 1.986798 -2.465674 -0.000082
C 4.284048 -0.810513 0.000191
C 3.252460 -3.043469 0.000044
C 4.402115 -2.205622 0.000188
H -1.192217 2.274429 -0.000591
H -4.258056 -0.572681 2.533105
H -4.258032 -0.574392 -2.532576
H -6.179126 -1.610440 1.247450
H -6.179103 -1.611302 -1.246240
H 1.068878 -3.059089 -0.000186
H 3.378180 -4.130209 0.000041
H 5.399061 -2.654273 0.000303
H 1.741089 3.620550 -0.000141


