%chk=000012742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012742

0 1
 Br  -6.012000     -0.5139000      9.6000005E-03
 C   0.6982000      0.4250000     -1.0700000E-02
 C  -0.6240000     -0.3478000     -2.2700001E-02
 C    1.932300     -0.4799000      3.3000000E-03
 C   -1.858800      0.5576000     -1.0900000E-02
 C    3.222400      0.3432000      2.7100001E-02
 C   -3.149600     -0.2701000      2.0000001E-03
 C    4.457000     -0.5577000      2.7999999E-03
 C   -4.406200      0.5866000      6.5000001E-03
 C    5.740700      0.2568000     -7.0000002E-03
 H   0.7376000       1.078700     -0.8909000    
 H   0.7209000       1.078800      0.8701000    
 H  -0.6545000     -0.9908000     -0.9110000    
 H  -0.6557000      -1.012000      0.8499000    
 H    1.897200      -1.135700      0.8814000    
 H    1.920700      -1.124800     -0.8837000    
 H   -1.846800       1.207800     -0.8937000    
 H   -1.831400       1.207100      0.8720000    
 H    3.242200      0.9718000      0.9255000    
 H    3.243400       1.016200     -0.8388000    
 H   -3.161600     -0.9316000     -0.8737000    
 H   -3.150100     -0.9243000      0.8833000    
 H    4.433100      -1.199100     -0.8859000    
 H    4.454000      -1.216600      0.8789000    
 H   -4.460900       1.216800      0.8987000    
 H   -4.466400       1.218000     -0.8843000    
 H    5.789500      0.9019000     -0.8900000    
 H    5.811300      0.8881000      0.8845000    
 H    6.610700     -0.4071000     -2.3000000E-02


%chk=000012742-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012742

0 1
Br -6.169865 -0.454463 -0.005718
C 0.679172 0.433014 0.000527
C -0.639300 -0.372911 -0.003909
C 1.939282 -0.461934 -0.004214
C -1.898326 0.525532 0.001042
C 3.259221 0.342148 0.001931
C -3.211494 -0.299960 -0.003299
C 4.519824 -0.552582 -0.004299
C -4.436712 0.615705 0.001188
C 5.833498 0.258773 0.001033
H 0.703087 1.103467 -0.884189
H 0.703053 1.094002 0.892325
H -0.663523 -1.032810 -0.895930
H -0.663525 -1.042756 0.880635
H 1.915713 -1.133500 0.879744
H 1.917177 -1.122408 -0.896516
H -1.873910 1.193924 -0.884683
H -1.873723 1.184395 0.893861
H 3.283874 1.001616 0.895068
H 3.284270 1.014848 -0.881246
H -3.238362 -0.953457 -0.895996
H -3.238702 -0.962455 0.882729
H 4.494019 -1.211802 -0.896264
H 4.494294 -1.223722 0.878723
H -4.499992 1.237432 0.908383
H -4.498880 1.247634 -0.899010
H 5.897215 0.914709 -0.888002
H 5.896694 0.903802 0.898056
H 6.719119 -0.403244 -0.002670


