%chk=000006834.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006834

0 1
 Br   5.868900      0.2531000     -0.1535000    
 N   -2.833300       1.988400     -0.2826000    
 N  -0.6213000      -1.681600       1.049500    
 C  -0.2986000      0.4469000     -5.9400000E-02
 C  -0.8617000       1.378800       1.045600    
 C   -2.391200       1.475100       1.009700    
 C    1.226300      0.3976000     -8.2300000E-02
 C  -0.8955000     -0.9546000     -4.0199999E-02
 C    1.864400      0.1724000      -1.282900    
 C    1.913800      0.5810000       1.097700    
 C   -1.648300      -1.352900      -1.114300    
 C   -2.311500       3.337300     -0.5064000    
 C   -4.294700       1.988700     -0.3636000    
 C    3.258400      0.1284000      -1.304200    
 C    3.307800      0.5369000       1.076400    
 C   -2.178600      -2.637300      -1.065700    
 C    3.980000      0.3105000     -0.1245000    
 C   -1.153500      -2.924300       1.061200    
 C   -1.931300      -3.444500      3.9200000E-02
 H  -0.5732000      0.9203000      -1.013400    
 H  -0.6270000      0.9712000       2.037600    
 H  -0.3864000       2.366100       1.013200    
 H   -2.728500       2.123100       1.829700    
 H   -2.828100      0.4873000       1.199000    
 H    1.311100      2.9200001E-02  -2.206000    
 H    1.434400      0.7390000       2.055800    
 H   -1.835800     -0.7170000      -1.971400    
 H   -1.231000       3.341000     -0.6777000    
 H   -2.545200       4.018500      0.3201000    
 H   -2.743700       3.763900      -1.419900    
 H   -4.687300      0.9741000     -0.2324000    
 H   -4.626100       2.325400      -1.352200    
 H   -4.750700       2.636600      0.3938000    
 H    3.766900     -4.8799999E-02  -2.248400    
 H    3.855700      0.6766000       2.004900    
 H   -2.783700      -3.008700      -1.887300    
 H  -0.9311000      -3.513300       1.944800    
 H   -2.334500      -4.448800      9.8399997E-02


%chk=000006834-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006834

0 1
Br 5.979387 0.401942 -0.287110
N -2.827227 2.130836 -0.355319
N -0.881174 -1.574129 1.305880
C -0.349870 0.398295 -0.101517
C -0.843763 1.359227 1.019447
C -2.364394 1.616526 0.959473
C 1.183122 0.365224 -0.149976
C -0.944200 -1.001792 0.060799
C 1.874343 0.940648 -1.245020
C 1.943418 -0.202963 0.905438
C -1.529042 -1.679259 -1.039461
C -2.330972 3.491284 -0.650166
C -4.296255 2.046147 -0.494185
C 3.287868 0.958644 -1.297032
C 3.355041 -0.197561 0.871228
C -2.050396 -2.978877 -0.858913
C 4.010546 0.386619 -0.232247
C -1.387168 -2.830132 1.468865
C -1.978956 -3.572577 0.422357
H -0.725241 0.802897 -1.059748
H -0.605639 0.915722 2.003637
H -0.283346 2.310463 0.945275
H -2.642340 2.315748 1.791199
H -2.895756 0.664752 1.150044
H 1.307128 1.383861 -2.072616
H 1.421146 -0.665661 1.749927
H -1.572673 -1.185901 -2.015881
H -1.227562 3.505733 -0.657387
H -2.679626 4.254799 0.091985
H -2.679383 3.802736 -1.651241
H -4.622722 1.001162 -0.348237
H -4.593983 2.360762 -1.510933
H -4.848919 2.687475 0.239237
H 3.808942 1.406469 -2.148174
H 3.931853 -0.641143 1.688129
H -2.504507 -3.516597 -1.698286
H -1.311698 -3.248094 2.479850
H -2.370082 -4.577687 0.608979


