%chk=000072753.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072753

0 1
 Br  -4.691600      -1.327100     -0.2088000    
 Br  -3.604600       3.209700     -0.1971000    
 O   -2.286500      0.4578000      2.9999999E-02
 O   -3.461200      -4.151400      3.9999999E-04
 O   -1.187700       5.076900      4.9300000E-02
 O    3.235500     -2.1500001E-02  -2.764300    
 O    1.138600     -0.7562000      -2.285200    
 C   0.4929000     -0.1138000      0.3766000    
 C  -0.5299000      -1.185000      0.2795000    
 C   6.8000004E-02   1.177400      0.2949000    
 C    1.921200     -0.4011000      0.5554000    
 C   -1.869300     -0.8413000      0.1112000    
 C   -1.362200       1.492500      0.1159000    
 C  -0.2021000      -2.549100      0.3509000    
 C    1.002800       2.304900      0.3805000    
 C    2.762300     -0.5702000     -0.5378000    
 C   -2.864100      -1.819500      1.5699999E-02
 C   -1.797800       2.765000      3.3100002E-02
 C    2.413000     -0.4999000       1.851700    
 C   -1.191900      -3.531500      0.2561000    
 C   -2.523600      -3.166500      8.8500001E-02
 C   0.5973000       3.576000      0.3013000    
 C  -0.8342000       3.904000      0.1215000    
 C    4.114700     -0.8423000     -0.3321000    
 C    3.765600     -0.7722000       2.057400    
 C    4.616500     -0.9433000      0.9655000    
 C    2.278300     -0.4721000      -1.910000    
 H   0.8260000      -2.877300      0.4808000    
 H    2.065400       2.132800      0.5115000    
 H    1.763300     -0.3703000       2.713800    
 H  -0.9118000      -4.580000      0.3143000    
 H    1.302500       4.396800      0.3659000    
 H    4.802300     -0.9952000      -1.159900    
 H    4.156000     -0.8518000       3.067600    
 H    5.668900      -1.158500       1.126100    
 H   -4.332200      -3.733400     -0.1135000    
 H    2.902500      4.2500000E-02  -3.684800    


%chk=000072753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072753

0 1
Br -4.728906 -1.330584 -0.212893
Br -3.776299 3.215806 -0.000139
O -2.305977 0.526864 0.072128
O -3.376460 -4.199814 -0.113976
O -1.387131 5.257662 0.291518
O 3.331911 -0.903130 -2.904756
O 1.145287 -0.383006 -2.338865
C 0.480030 -0.039286 0.329635
C -0.483139 -1.120932 0.231268
C 0.038939 1.290904 0.331946
C 1.933856 -0.365398 0.514837
C -1.867312 -0.790966 0.094366
C -1.384274 1.587984 0.197255
C -0.129625 -2.502168 0.253192
C 0.933710 2.428742 0.437052
C 2.818738 -0.661218 -0.567838
C -2.847747 -1.795510 -0.021653
C -1.879273 2.879749 0.181498
C 2.448252 -0.388101 1.835386
C -1.095282 -3.505653 0.139815
C -2.466568 -3.160747 -0.002469
C 0.459225 3.717883 0.421481
C -0.979692 4.046730 0.297660
C 4.180778 -0.968812 -0.308125
C 3.803174 -0.698465 2.086579
C 4.673071 -0.991544 1.011457
C 2.319799 -0.626666 -1.973050
H 0.923347 -2.777796 0.361638
H 2.006981 2.233803 0.527335
H 1.775214 -0.158551 2.668096
H -0.832525 -4.566273 0.153967
H 1.130677 4.579680 0.498315
H 4.837147 -1.183281 -1.155278
H 4.175349 -0.708307 3.116546
H 5.724526 -1.230590 1.200531
H -4.302067 -3.843965 -0.212310
H 2.945166 -0.859243 -3.820250


