%chk=000067400.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067400

0 1
 Br  -4.933100       2.564600     -4.8999999E-02
 Br  -4.987500      -3.124100      1.2200000E-02
 O    4.875800     -0.6248000      -1.239900    
 O    4.232200      0.1260000       2.038800    
 O   -6.053200     -0.2342000     -8.6599998E-02
 C    2.478100     -0.2858000     -0.6868000    
 C    1.808000      0.8640000      9.6600004E-02
 C   0.2995000      0.9382000     -0.1501000    
 C    3.965300     -2.6699999E-02 -0.3341000    
 C  -0.3551000     -0.3947000      0.3225000    
 C    1.865300      -1.610600     -0.2039000    
 C    2.669100       2.077300     -0.2447000    
 C    4.097200       1.512200     -0.3793000    
 C   0.3298000      -1.621100     -0.3369000    
 C  -0.3588000       2.104400      0.5909000    
 C    2.293500     -0.1907000      -2.228600    
 C   -1.874000     -0.3472000      0.1775000    
 C   -1.826200       2.212000      0.1874000    
 C    4.377200     -0.5456000       1.018600    
 C   -2.554100      0.8903000      0.1584000    
 C   -2.640000      -1.526300      0.1491000    
 C    4.972300      -1.927000       1.060800    
 C   -3.956500      0.9178000      5.8800001E-02
 C   -4.033000      -1.484800      5.9099998E-02
 C   -4.691500     -0.2630000      9.1000004E-03
 H    1.931900      0.6872000       1.175600    
 H   0.1098000       1.082200      -1.221500    
 H  -0.1764000     -0.4869000       1.405100    
 H    2.096700      -1.781900      0.8541000    
 H    2.285000      -2.457400     -0.7596000    
 H    2.620500       2.842600      0.5367000    
 H    2.352800       2.544000      -1.184200    
 H    4.535000       1.847800      -1.327500    
 H    4.744100       1.910600      0.4104000    
 H   4.2399999E-02  -1.686000      -1.392900    
 H  -2.2399999E-02  -2.548100      0.1302000    
 H   0.1405000       3.052800      0.3636000    
 H  -0.2785000       1.953400       1.675300    
 H    2.728600      0.7225000      -2.646700    
 H    2.782400      -1.036900      -2.725800    
 H    1.244900     -0.2100000      -2.535900    
 H   -1.883000       2.660200     -0.8129000    
 H   -2.294900       2.899800      0.9002000    
 H    5.750700     -0.2219000      -1.104700    
 H   -2.151700      -2.495200      0.2061000    
 H    4.421100      -2.618800      0.4211000    
 H    6.020800      -1.887600      0.7549000    
 H    4.920400      -2.306900       2.085700    
 H   -6.382000      -1.149500     -0.1081000    


%chk=000067400-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067400

0 1
Br -5.021469 2.563624 -0.024098
Br -5.007815 -3.213964 -0.125854
O 4.826277 -0.726628 -1.381234
O 4.170127 0.117992 2.072406
O -6.126853 -0.239345 -0.155353
C 2.474175 -0.295230 -0.681885
C 1.819697 0.893595 0.088741
C 0.298222 0.968179 -0.132308
C 4.006907 -0.035791 -0.366453
C -0.349137 -0.364764 0.355273
C 1.859385 -1.615410 -0.153848
C 2.694761 2.117893 -0.277817
C 4.135666 1.527990 -0.435512
C 0.312326 -1.614921 -0.295184
C -0.363550 2.134695 0.627419
C 2.289888 -0.203111 -2.221296
C -1.879609 -0.324282 0.201971
C -1.857629 2.256972 0.269195
C 4.388104 -0.572866 1.038184
C -2.586638 0.920935 0.180959
C -2.614755 -1.530880 0.108706
C 5.040416 -1.944268 1.125358
C -3.997802 0.895067 0.052505
C -4.010843 -1.516054 -0.001949
C -4.744682 -0.306338 -0.037468
H 1.979025 0.703105 1.172148
H 0.086497 1.099546 -1.214997
H -0.127286 -0.422939 1.446647
H 2.107368 -1.740992 0.920302
H 2.277122 -2.488297 -0.692390
H 2.661328 2.893127 0.506227
H 2.349731 2.581695 -1.221502
H 4.573815 1.801940 -1.412657
H 4.799434 1.898443 0.364425
H 0.017965 -1.675847 -1.360646
H -0.066157 -2.536703 0.186405
H 0.140702 3.090440 0.392212
H -0.243194 1.967011 1.717195
H 2.673398 0.746967 -2.631018
H 2.844920 -1.018182 -2.713197
H 1.226910 -0.284774 -2.504040
H -1.966424 2.774111 -0.706510
H -2.372399 2.906768 1.001554
H 5.754607 -0.385615 -1.329756
H -2.097227 -2.491766 0.123948
H 4.613236 -2.642056 0.387265
H 6.120293 -1.863525 0.891995
H 4.939960 -2.333004 2.151455
H -6.509793 -1.156341 -0.206423


