%chk=000042058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042058

0 1
 Br   5.263200      0.3445000      5.0700001E-02
 C  -0.8328000     -0.2585000     -4.5600001E-02
 C   0.6069000     -0.1159000     -2.3399999E-02
 C   -1.647700      0.8555000      0.1559000    
 C   -3.035600      0.7173000      0.1358000    
 C   -1.406000      -1.510900     -0.2671000    
 C   -3.608500     -0.5351000     -8.6000003E-02
 C    1.405900      -1.177800      0.3994000    
 C    1.195600       1.083600     -0.4242000    
 C   -2.793700      -1.649200     -0.2872000    
 C   -3.907600       1.907900      0.3514000    
 C    2.793800      -1.040700      0.4216000    
 C    2.583600       1.220800     -0.4021000    
 C    3.382800      0.1585000      2.0700000E-02
 H   -1.235200       1.839700      0.3638000    
 H  -0.8127000      -2.400700     -0.4592000    
 H   -4.688300     -0.6568000     -0.1039000    
 H   0.9915000      -2.119200      0.7497000    
 H   0.6162000       1.926600     -0.7906000    
 H   -3.240400      -2.622800     -0.4663000    
 H   -4.023100       2.099800       1.422800    
 H   -3.479100       2.797200     -0.1232000    
 H   -4.901600       1.759800     -8.4200002E-02
 H    3.402300      -1.875400      0.7602000    
 H    3.027500       2.159400     -0.7239000    


%chk=000042058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042058

0 1
Br 5.414389 0.356437 0.068494
C -0.847960 -0.273644 -0.058482
C 0.635548 -0.123871 -0.030686
C -1.698047 0.844540 0.155742
C -3.109298 0.729128 0.131230
C -1.447588 -1.539465 -0.304446
C -3.679248 -0.545086 -0.120490
C 1.469231 -1.170608 0.450827
C 1.264172 1.068563 -0.483607
C -2.850987 -1.670137 -0.334135
C -3.989567 1.937477 0.403146
C 2.874166 -1.040389 0.482651
C 2.667095 1.219061 -0.458204
C 3.459006 0.158527 0.026810
H -1.252721 1.822501 0.377859
H -0.816164 -2.411494 -0.508452
H -4.770073 -0.654365 -0.149197
H 1.016890 -2.091057 0.835530
H 0.655327 1.882279 -0.892042
H -3.301512 -2.647961 -0.538328
H -4.111671 2.102732 1.491302
H -3.555140 2.860530 -0.020353
H -4.998543 1.807040 -0.025194
H 3.497557 -1.853551 0.865222
H 3.132140 2.140413 -0.820097


