%chk=000086757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086757

0 1
 Br -1.9400001E-02   3.105600      0.1288000    
 C  -0.5334000      0.2561000      0.3775000    
 C   0.4438000       1.244100     -0.3618000    
 C   -1.987000      0.5345000      0.1935000    
 C  -0.1979000      -1.216100      6.1000001E-02
 C    1.925300       1.086400     -8.2500003E-02
 C   -2.893600      0.2024000       1.200200    
 C  -0.4714000      -2.160500       1.015000    
 C   -2.440000       1.127400     -0.9851000    
 C   0.3562000      -1.505000      -1.158200    
 C    2.835600       1.420700      -1.068600    
 C    2.331100      0.6124000       1.151600    
 C   -4.253100      0.4628000       1.028300    
 C  -0.1683000      -3.491700      0.7288000    
 C   -3.799600       1.387900      -1.156900    
 C   0.6591000      -2.836100      -1.444300    
 C   -4.706100       1.055700     -0.1501000    
 C   0.3969000      -3.829400     -0.5007000    
 C    4.198900       1.275800     -0.8116000    
 C    3.694500      0.4676000       1.408400    
 C    4.628300      0.7994000      0.4267000    
 H  -0.3522000      0.4004000       1.452500    
 H   0.2845000       1.238200      -1.445000    
 H   -2.562200     -0.2458000       2.132300    
 H  -0.8951000      -1.910000       1.981200    
 H   -1.780800       1.368500      -1.811800    
 H   0.5434000     -0.7751000      -1.935000    
 H    2.512400       1.792700      -2.036400    
 H    1.644100      0.3647000       1.951500    
 H   -4.958700      0.2069000       1.813300    
 H  -0.3693000      -4.264800       1.464700    
 H   -4.154100       1.841600      -2.077900    
 H    1.091700      -3.100900      -2.404700    
 H   -5.764800       1.257300     -0.2844000    
 H   0.6318000      -4.866000     -0.7240000    
 H    4.926000       1.534400      -1.575800    
 H    4.029800      0.1015000       2.374500    
 H    5.689900      0.6878000      0.6274000    


%chk=000086757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086757

0 1
Br -0.016436 3.259193 0.388466
C -0.566113 0.327907 0.443192
C 0.453687 1.314294 -0.191650
C -2.039893 0.631507 0.145441
C -0.192469 -1.103271 -0.008692
C 1.902744 1.061478 0.156069
C -3.013820 0.244731 1.100302
C 0.496972 -1.971033 0.874144
C -2.482058 1.218944 -1.066668
C -0.511175 -1.568911 -1.310167
C 2.843020 0.853029 -0.883365
C 2.349380 1.016738 1.502669
C -4.391118 0.436189 0.856227
C 0.862833 -3.274224 0.469423
C -3.858524 1.414475 -1.315569
C -0.139960 -2.868137 -1.720343
C -4.820128 1.021230 -0.357384
C 0.548924 -3.726654 -0.832285
C 4.199212 0.589069 -0.586974
C 3.702550 0.759011 1.801068
C 4.633346 0.540247 0.756570
H -0.427061 0.376376 1.539931
H 0.324048 1.365434 -1.284621
H -2.688772 -0.213110 2.043088
H 0.755080 -1.622978 1.881444
H -1.757399 1.558689 -1.815258
H -1.075010 -0.927609 -1.996750
H 2.510324 0.888825 -1.927899
H 1.642336 1.220139 2.315400
H -5.126268 0.133021 1.610228
H 1.393305 -3.932344 1.166720
H -4.179407 1.880238 -2.254236
H -0.396090 -3.214544 -2.728130
H -5.887681 1.175032 -0.550342
H 0.832677 -4.736393 -1.149447
H 4.913241 0.425573 -1.401646
H 4.036395 0.737197 2.844534
H 5.685609 0.342045 0.988911


