%chk=000085417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085417

0 1
 Br   3.780100      -2.314700     -8.9999998E-04
 O   0.1131000       2.488900      1.0000000E-03
 C   0.3889000      0.1008000      1.9999999E-04
 C   -1.042200     -0.1120000      1.9999999E-04
 C   0.9221000       1.391000      3.9999999E-04
 C    1.242800      -1.003700     -9.9999997E-05
 C   -1.732300     -0.2150000       1.208000    
 C   -1.732000     -0.2124000      -1.207900    
 C    2.304600       1.576100      3.0000001E-04
 C    2.625300     -0.8185000     -3.0000001E-04
 C    3.156200      0.4714000      9.9999997E-05
 C   -3.112300     -0.4181000       1.207600    
 C   -3.112000     -0.4155000      -1.208200    
 C   -3.802200     -0.5184000     -5.0000002E-04
 H   0.8304000      -2.011100     -3.0000001E-04
 H   -1.210100     -0.1382000       2.158700    
 H   -1.209500     -0.1336000      -2.158400    
 H    2.724900       2.578200      6.0000003E-04
 H    4.231100      0.6331000       0.000000    
 H   -3.649800     -0.4980000       2.148000    
 H   -3.649200     -0.4934000      -2.148900    
 H   -4.876700     -0.6764000     -7.9999998E-04
 H  -0.8228000       2.233800      1.4000000E-03


%chk=000085417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085417

0 1
Br 3.935687 -2.344389 0.000806
O 0.124971 2.506012 -0.000377
C 0.421699 0.056028 0.000108
C -1.068430 -0.138933 0.000005
C 0.955158 1.376678 -0.000097
C 1.318278 -1.040156 0.000379
C -1.785750 -0.227240 1.223945
C -1.786066 -0.222871 -1.224070
C 2.350513 1.597015 0.000024
C 2.707645 -0.808084 0.000465
C 3.236506 0.500016 0.000304
C -3.187817 -0.407534 1.223049
C -3.188135 -0.403152 -1.223464
C -3.891966 -0.496257 -0.000279
H 0.921317 -2.059434 0.000492
H -1.238421 -0.162610 2.171273
H -1.238980 -0.154958 -2.171311
H 2.726364 2.623949 -0.000100
H 4.317477 0.665833 0.000382
H -3.727334 -0.479859 2.173894
H -3.727894 -0.472108 -2.174422
H -4.978423 -0.637727 -0.000390
H -0.828000 2.224082 -0.000415


