%chk=000138332.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138332

0 1
 Br  -4.076100     -0.9008000      0.4122000    
 C    1.275900     -0.6276000     -0.1688000    
 C    2.594500      0.1626000     -0.2625000    
 C   4.1000001E-02  0.2634000      5.5999998E-03
 C   -1.235900     -0.5806000      0.1191000    
 C   -2.502500      0.2628000      0.2849000    
 C    2.850100       1.022300      0.9761000    
 C    3.763900     -0.8029000     -0.4712000    
 C   -2.710900       1.200800     -0.8956000    
 H    1.154400      -1.231600      -1.077100    
 H    1.332800      -1.331900      0.6713000    
 H    2.544500      0.8260000      -1.135200    
 H   0.1291000      0.8758000      0.9089000    
 H  -1.5300000E-02  0.9415000     -0.8519000    
 H   -1.140600      -1.261600      0.9749000    
 H   -1.325800      -1.217900     -0.7707000    
 H   -2.478900      0.8260000       1.223300    
 H    2.803000      0.4240000       1.892300    
 H    3.841200       1.486900      0.9279000    
 H    2.122100       1.834800       1.057800    
 H    3.872300      -1.486200      0.3781000    
 H    4.705100     -0.2553000     -0.5880000    
 H    3.615100      -1.404600      -1.374100    
 H   -1.948500       1.984900     -0.9256000    
 H   -2.687700      0.6625000      -1.849800    
 H   -3.679800       1.709300     -0.8293000    


%chk=000138332-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138332

0 1
Br -4.129007 -0.997099 0.467079
C 1.305259 -0.624724 -0.077297
C 2.641982 0.151115 -0.226579
C 0.045134 0.269629 -0.006948
C -1.255594 -0.577559 0.020490
C -2.515041 0.278686 0.221895
C 2.943290 1.040760 1.003927
C 3.808778 -0.833461 -0.479651
C -2.847071 1.242247 -0.920213
H 1.199486 -1.319090 -0.937023
H 1.357411 -1.259749 0.832394
H 2.551562 0.812081 -1.115875
H 0.085452 0.908443 0.898177
H 0.037533 0.951702 -0.880572
H -1.184761 -1.316310 0.841208
H -1.349556 -1.151916 -0.921645
H -2.491700 0.798009 1.195593
H 3.010401 0.423951 1.921446
H 3.907943 1.567660 0.881680
H 2.163600 1.806972 1.165865
H 3.934265 -1.520113 0.379990
H 4.763916 -0.294376 -0.621678
H 3.627567 -1.449295 -1.380506
H -2.039779 1.994223 -1.017719
H -2.936318 0.701912 -1.878774
H -3.791752 1.778902 -0.732662


