%chk=000006618.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006618

0 1
 Br   4.708500       2.159200      0.2570000    
 Br  -4.692600      -2.147000      0.3358000    
 Br   2.760900      -2.740300      -2.022800    
 Br  -2.735100       2.643700      -2.156900    
 O    4.692100     -0.3742000      -1.521100    
 O   -4.668600      0.3028000      -1.555800    
 C   5.2999998E-03  3.5900000E-02   1.601400    
 C    1.243200     -7.2499998E-02  0.7769000    
 C   -1.290100      0.1099000      0.7265000    
 C  -7.8199998E-02   1.297100       2.541600    
 C  -3.4600001E-02  -1.172500       2.601600    
 C    1.412600      -1.153400     -8.8100001E-02
 C   -1.394900       1.146900     -0.1464000    
 C    2.231700      0.9073000      0.8705000    
 C   -2.218200     -0.8680000      0.9019000    
 C    3.389700      0.8059000      9.9399999E-02
 C   -3.372900     -0.8021000      0.1222000    
 C    2.570400      -1.254900     -0.8595000    
 C   -2.549600       1.212900     -0.9263000    
 C    3.559000     -0.2752000     -0.7657000    
 C   -3.538600      0.2384000     -0.7921000    
 H   0.7317000       1.296100       3.281600    
 H  -2.3300000E-02   2.243100       1.990700    
 H   -1.023200       1.309200       3.100000    
 H   0.8740000      -1.179400       3.218700    
 H  -0.8808000      -1.111600       3.297000    
 H  -6.6100001E-02  -2.145800       2.098000    
 H   0.6437000      -1.918300     -0.1685000    
 H  -0.6201000       1.899000     -0.2519000    
 H    2.133200       1.760400       1.533300    
 H   -2.127900      -1.693100       1.594600    
 H    5.260700      0.3904000      -1.325300    
 H   -5.238100     -0.4522000      -1.327700    


%chk=000006618-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006618

0 1
Br 4.987532 2.048177 0.502297
Br -5.005726 -2.027396 0.533927
Br 2.677775 -2.460109 -2.339889
Br -2.661883 2.344714 -2.488009
O 4.767508 -0.342732 -1.575814
O -4.760157 0.262411 -1.652221
C -0.017738 0.041125 1.698496
C 1.255320 0.015232 0.816377
C -1.279269 0.022868 0.799310
C -0.093353 1.320767 2.583988
C 0.044503 -1.192656 2.647710
C 1.381766 -0.978965 -0.191256
C -1.393217 0.968189 -0.255358
C 2.334836 0.908166 1.011570
C -2.360160 -0.861812 1.022351
C 3.493240 0.792567 0.222683
C -3.508269 -0.785130 0.213930
C 2.545326 -1.081749 -0.968689
C -2.546608 1.032478 -1.051958
C 3.640893 -0.196549 -0.781572
C -3.643684 0.155504 -0.837716
H 0.733872 1.350087 3.316569
H -0.063126 2.243985 1.978229
H -1.041952 1.321683 3.148472
H 0.985334 -1.165840 3.224555
H -0.792541 -1.185204 3.369692
H 0.021725 -2.144986 2.088465
H 0.555378 -1.671702 -0.378603
H -0.565215 1.652825 -0.464122
H 2.284448 1.693666 1.768217
H -2.318604 -1.611204 1.815322
H 5.448327 0.343930 -1.341219
H -5.442484 -0.414640 -1.395137


