%chk=000003952.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003952

0 1
 Br -0.3175000      -2.880200     -1.6000000E-03
 C   -1.536400     -2.9000000E-03 -1.9999999E-04
 C  -3.7099998E-02 -1.4400000E-02 -6.9999998E-04
 C   -4.281200      1.9800000E-02  3.0000001E-04
 C   0.7149000       1.230700     -3.9999999E-04
 C   -2.189100      2.6000000E-03  -1.208000    
 C   -2.188700      2.4999999E-03   1.207900    
 C   -5.772500      3.3000000E-02  3.0000001E-04
 C   -3.583800      1.4200000E-02  -1.207800    
 C   -3.583500      1.4100000E-02   1.208200    
 C   0.6016000      -1.229600     -6.0000003E-04
 C    2.071100      -1.381300     -1.9999999E-04
 C    1.075800       1.827200       1.207800    
 C    1.075200       1.828300      -1.208300    
 C   -6.365600      -1.373600      7.9999998E-04
 C    2.741800      -1.450600       1.208000    
 C    2.742500      -1.450500      -1.208000    
 C    1.796700       3.021400       1.208200    
 C    1.796100       3.022400      -1.207800    
 C    2.156900       3.618900      5.0000002E-04
 C    4.129300      -1.593600       1.208500    
 C    4.130100      -1.593600      -1.207500    
 C    4.823400      -1.665100      8.9999998E-04
 H   -1.654700     -2.9000000E-03  -2.153400    
 H   -1.653900     -3.1000001E-03   2.153000    
 H   -6.142000      0.5834000     -0.8740000    
 H   -6.142000      0.5840000      0.8742000    
 H   -4.115600      1.6799999E-02  -2.155600    
 H   -4.115000      1.6500000E-02   2.156200    
 H   0.8042000       1.374700       2.158500    
 H   0.8031000       1.376600      -2.159400    
 H   -6.050900      -1.936300     -0.8846000    
 H   -7.458900      -1.322400      6.9999998E-04
 H   -6.051000      -1.935700      0.8865000    
 H    2.212500      -1.395700       2.155500    
 H    2.213900      -1.395600      -2.155900    
 H    2.078000       3.485500       2.148800    
 H    2.077200       3.487600      -2.148100    
 H    2.718500       4.548500      7.9999998E-04
 H    4.669200      -1.648900       2.149200    
 H    4.670800      -1.648800      -2.147800    
 H    5.903700      -1.776100      1.2000001E-03


%chk=000003952-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003952

0 1
Br -0.210465 -3.065635 -0.000193
C -1.492580 -0.098864 -0.000013
C 0.009677 -0.157283 0.000072
C -4.353027 0.102186 -0.000148
C 0.720027 1.177574 0.000225
C -2.215486 -0.042715 -1.218753
C -2.215566 -0.042215 1.218658
C -5.874550 0.151880 -0.000191
C -3.623255 0.053567 -1.215468
C -3.623331 0.054061 1.215243
C 0.734812 -1.308586 0.000010
C 2.216973 -1.450224 0.000048
C 1.032982 1.826361 1.222337
C 1.031925 1.827170 -1.221727
C -6.508223 -1.266013 0.000559
C 2.931428 -1.530108 1.224202
C 2.931518 -1.529707 -1.224081
C 1.647910 3.098038 1.222459
C 1.646858 3.098844 -1.221536
C 1.955613 3.739583 0.000541
C 4.336155 -1.669782 1.223338
C 4.336246 -1.669371 -1.223157
C 5.042970 -1.739090 0.000103
H -1.672880 -0.082963 -2.170423
H -1.673017 -0.082044 2.170378
H -6.233087 0.705317 -0.889338
H -6.233106 0.706261 0.888363
H -4.164126 0.092849 -2.169442
H -4.164261 0.093743 2.169167
H 0.796664 1.332028 2.171716
H 0.794771 1.333477 -2.171229
H -6.193359 -1.838400 -0.890812
H -7.612211 -1.205186 0.000543
H -6.193340 -1.837463 0.892524
H 2.381074 -1.485170 2.170655
H 2.381234 -1.484438 -2.170558
H 1.887762 3.585637 2.174097
H 1.885888 3.587070 -2.173059
H 2.431724 4.726456 0.000662
H 4.877711 -1.725262 2.174205
H 4.877872 -1.724534 -2.174003
H 6.133177 -1.849251 0.000128


