%chk=000095582.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095582

0 1
 Br   4.423200       2.716300      0.4484000    
 O    3.589800      -1.124500      0.3294000    
 O    4.551900      0.2328000      -1.266400    
 C   -1.739600      0.1531000      0.2940000    
 C   -3.099200      0.6182000     -0.2329000    
 C  -0.6145000       1.075000     -0.1793000    
 C   -4.218300     -0.3246000      0.2149000    
 C   0.7402000      0.6288000      0.3746000    
 C   -5.606700      0.1073000     -0.2659000    
 C    1.860900       1.575100     -6.8400003E-02
 C   -6.733400     -0.7930000      0.2425000    
 C    3.209100       1.183100      0.5252000    
 C   -8.087700     -0.3299000     -0.2724000    
 C    3.882900      7.6300003E-02 -0.2531000    
 C    4.126800      -2.276900     -0.3275000    
 C    3.714600      -3.516900      0.4367000    
 H   -1.760700      0.1297000       1.390400    
 H   -1.542100     -0.8703000     -4.7699999E-02
 H   -3.076500      0.6624000      -1.328400    
 H   -3.306800       1.632600      0.1283000    
 H  -0.8234000       2.101900      0.1448000    
 H  -0.5798000       1.082300      -1.275400    
 H   -4.222700     -0.3810000       1.310700    
 H   -4.011100      -1.337100     -0.1530000    
 H   0.6965000      0.6009000       1.470200    
 H   0.9544000     -0.3902000      3.2000002E-02
 H   -5.616400      0.1193000      -1.362900    
 H   -5.794700       1.137000      6.2899999E-02
 H    1.913600       1.591500      -1.164700    
 H    1.591300       2.591100      0.2477000    
 H   -6.743100     -0.7926000       1.338500    
 H   -6.557300      -1.825400     -8.0799997E-02
 H    3.152600      0.9357000       1.589700    
 H   -8.119200     -0.3495000      -1.366500    
 H   -8.879600     -0.9860000      0.1021000    
 H   -8.306000      0.6900000      5.9999999E-02
 H    5.219800      -2.205300     -0.3554000    
 H    3.739000      -2.327000      -1.351000    
 H    4.079900      -3.473200       1.468100    
 H    2.623400      -3.592000      0.4890000    
 H    4.108400      -4.419000     -3.9700001E-02


%chk=000095582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095582

0 1
Br 4.534309 2.167295 0.283752
O 4.262994 -1.297929 0.415839
O 3.159531 -0.633000 -1.530085
C -2.040198 0.101249 0.295663
C -3.388098 0.693854 -0.173578
C -0.834178 1.010504 -0.029289
C -4.602479 -0.200583 0.162850
C 0.519695 0.404652 0.406618
C -5.946713 0.386322 -0.323569
C 1.701551 1.357985 0.087862
C -7.163930 -0.503490 0.017256
C 3.045127 0.763295 0.509228
C -8.501159 0.088898 -0.477735
C 3.474541 -0.433555 -0.334860
C 4.814515 -2.485734 -0.314060
C 5.658875 -3.264825 0.687523
H -2.080181 -0.080759 1.390161
H -1.891034 -0.890595 -0.180005
H -3.350738 0.862779 -1.270154
H -3.530713 1.692990 0.289291
H -0.973719 1.994596 0.465032
H -0.807633 1.209117 -1.120424
H -4.647828 -0.359763 1.260814
H -4.455737 -1.203584 -0.290309
H 0.493292 0.188374 1.494839
H 0.668314 -0.562491 -0.113132
H -5.903952 0.540501 -1.422322
H -6.092876 1.391689 0.124671
H 1.727364 1.568453 -0.996689
H 1.553240 2.317875 0.615704
H -7.208483 -0.654438 1.115349
H -7.015761 -1.508535 -0.428302
H 3.102370 0.515751 1.580347
H -8.492897 0.221422 -1.576285
H -9.354974 -0.565637 -0.222751
H -8.687580 1.080422 -0.023127
H 5.403854 -2.113048 -1.171294
H 3.965096 -3.073053 -0.707168
H 6.480938 -2.641162 1.077509
H 5.046925 -3.608468 1.538885
H 6.097829 -4.151370 0.194644


