%chk=000076781.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076781

0 1
 Br  -3.318800      -1.558500       2.143200    
 O   -4.249800     -0.2018000     -0.5089000    
 O  -0.1837000       1.979300      -1.629500    
 O    1.326600       1.967500       1.383200    
 C  -0.3219000      0.6565000      0.3661000    
 C    1.104100      0.9624000      0.6917000    
 C  -0.8838000       1.181500     -0.7747000    
 C    2.204700      0.1321000      0.2295000    
 C   -1.019700     -0.1505000       1.236400    
 C   -2.950000      6.9300003E-02 -0.1999000    
 C   -2.215900      0.8840000      -1.061800    
 C   -2.351900     -0.4481000      0.9493000    
 C    1.947600     -0.9968000     -0.5486000    
 C    3.517500      0.4646000      0.5636000    
 C    3.003300      -1.793300     -0.9922000    
 C    4.573200     -0.3318000      0.1198000    
 C    4.316000      -1.460800     -0.6581000    
 C   -4.497600      -1.355500      -1.309200    
 H  -0.5422000     -0.5470000       2.128500    
 H   -2.681200       1.288500      -1.957400    
 H   0.9420000      -1.292000     -0.8322000    
 H    3.744900       1.338700       1.168200    
 H    2.803700      -2.672300      -1.598000    
 H    5.595600     -7.3299997E-02  0.3797000    
 H    5.138000      -2.080900      -1.003500    
 H   0.7161000       2.126400      -1.296300    
 H   -4.025300      -2.246800     -0.8846000    
 H   -4.131200      -1.191200      -2.327500    
 H   -5.578000      -1.518400      -1.349700    


%chk=000076781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076781

0 1
Br -2.600313 -2.529673 1.254448
O -4.373420 -0.184982 -0.054578
O -0.832006 2.844067 -1.168071
O 1.547156 2.227969 -0.658943
C -0.199940 0.646138 -0.256868
C 1.224871 1.005489 -0.354124
C -1.187941 1.606407 -0.700383
C 2.334200 0.028857 -0.135405
C -0.662509 -0.579326 0.311511
C -2.994896 0.041272 -0.145031
C -2.562975 1.274396 -0.663890
C -2.025436 -0.880524 0.367414
C 2.265759 -1.324625 -0.566426
C 3.537900 0.511439 0.447239
C 3.374370 -2.181160 -0.393723
C 4.635702 -0.351098 0.635059
C 4.555958 -1.701700 0.217558
C -4.945529 -1.149214 -1.022571
H 0.059129 -1.272312 0.750327
H -3.302170 1.997789 -1.016218
H 1.371524 -1.695279 -1.077934
H 3.591833 1.564489 0.741245
H 3.318680 -3.217731 -0.742963
H 5.553217 0.026589 1.098683
H 5.411863 -2.371208 0.356993
H 0.198820 2.920014 -1.049386
H -4.469635 -2.142264 -0.933315
H -4.830753 -0.762090 -2.052739
H -6.011160 -1.219929 -0.760808


