%chk=000116717.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116717

0 1
 Br   4.199900      -2.975400     -0.2162000    
 Br  -8.584100      0.4570000      0.1173000    
 C    1.799900     -0.4768000     -0.2020000    
 C    2.359300      -1.182300       1.046700    
 C    2.487500      0.8859000     -0.3880000    
 C    3.867900      -1.417000      0.9366000    
 C    3.991400      0.8203000     -0.2683000    
 C    4.638500     -0.2429000      0.3900000    
 C   0.2880000     -0.3405000     -0.1561000    
 C    4.752000       1.891300     -0.7650000    
 C    6.036800     -0.2061000      0.5330000    
 C  -0.3109000      0.3971000      0.8623000    
 C  -0.4935000     -0.9545000      -1.131900    
 C    6.138700       1.906700     -0.6244000    
 C    6.781000      0.8588000      2.6200000E-02
 C   -1.699600      0.5217000      0.9049000    
 C   -1.882100     -0.8297000      -1.089400    
 C   -2.485200     -9.1700003E-02 -7.1099997E-02
 C   -3.925800      3.8199998E-02 -2.7100001E-02
 C   -4.506400       1.183800      0.5170000    
 C   -4.733300     -0.9824000     -0.5283000    
 C   -5.895000       1.308500      0.5601000    
 C   -6.121900     -0.8577000     -0.4853000    
 C   -6.702900      0.2877000      5.9000000E-02
 H    2.051500      -1.090700      -1.077700    
 H    2.174800     -0.5582000       1.931700    
 H    1.829200      -2.126900       1.224800    
 H    2.137400       1.609000      0.3595000    
 H    2.215600       1.287500      -1.373200    
 H    4.259000      -1.705300       1.918900    
 H    4.262200       2.726000      -1.261100    
 H    6.556700      -1.014000       1.043000    
 H   0.2806000      0.8759000       1.637400    
 H  -3.7700001E-02  -1.527300      -1.934900    
 H    6.715200       2.739800      -1.015200    
 H    7.860700      0.8707000      0.1425000    
 H   -2.126000       1.079900       1.733900    
 H   -2.450400      -1.299000      -1.887700    
 H   -3.918100       2.017300      0.8910000    
 H   -4.327000      -1.905300     -0.9330000    
 H   -6.332200       2.210200      0.9813000    
 H   -6.737700      -1.664800     -0.8738000    


%chk=000116717-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116717

0 1
Br 4.202163 -3.062499 -0.419008
Br -8.803587 0.433689 0.162603
C 1.849152 -0.458307 -0.246013
C 2.417217 -1.171071 1.009739
C 2.556047 0.912032 -0.416662
C 3.921690 -1.421403 0.883784
C 4.071312 0.849748 -0.255736
C 4.717789 -0.250995 0.378371
C 0.331001 -0.320668 -0.186323
C 4.864484 1.937157 -0.701520
C 6.126771 -0.232705 0.557334
C -0.306497 0.444443 0.826266
C -0.494122 -0.967477 -1.140107
C 6.263350 1.946889 -0.525236
C 6.900861 0.854616 0.112758
C -1.709035 0.558116 0.880465
C -1.898930 -0.854751 -1.090472
C -2.537346 -0.088352 -0.078436
C -4.021272 0.034189 -0.021255
C -4.641673 1.227629 0.440396
C -4.863323 -1.037806 -0.426085
C -6.045843 1.353904 0.498960
C -6.269561 -0.930625 -0.375774
C -6.846705 0.269046 0.087973
H 2.105840 -1.093194 -1.116101
H 2.261748 -0.529209 1.903887
H 1.886197 -2.120548 1.192375
H 2.150687 1.621560 0.334852
H 2.300344 1.341380 -1.403849
H 4.351630 -1.854470 1.800319
H 4.373567 2.786277 -1.193159
H 6.612417 -1.092776 1.034252
H 0.295548 0.949796 1.591795
H -0.027687 -1.561849 -1.935349
H 6.854884 2.796938 -0.882920
H 7.986712 0.854158 0.255038
H -2.170511 1.127951 1.695119
H -2.503585 -1.341266 -1.864378
H -4.023732 2.084328 0.730336
H -4.418721 -1.982579 -0.756910
H -6.504623 2.283300 0.847923
H -6.900658 -1.769794 -0.681852


