%chk=000029211.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029211

0 1
 Br   3.000700      -3.007700       1.224900    
 Br   2.204400       3.676400      0.3430000    
 O   0.1392000     -0.2991000      -2.170000    
 O  -0.4934000       1.195000       2.236600    
 O   -3.878200     -0.9088000     -3.7799999E-02
 N   -1.834600     -0.6907000      -1.068300    
 N   -2.150800      5.6200001E-02   1.132700    
 C   0.1330000     -3.0300001E-02  0.2400000    
 C   0.6922000      -1.362000      0.7720000    
 C    1.284800      0.9703000      6.6100001E-02
 C  -0.4987000     -0.3216000      -1.117600    
 C  -0.8440000      0.4942000       1.287600    
 C    1.987300      -1.775400      8.4399998E-02
 C   0.8018000       2.399500     -0.1556000    
 C    1.707100      -2.483400      -1.233700    
 C   0.4481000       2.642300      -1.616100    
 C   -2.698900     -0.5552000      1.1500000E-02
 H   0.8887000      -1.242300       1.847700    
 H  -5.7100002E-02  -2.163500      0.7158000    
 H    1.901000      0.9492000      0.9766000    
 H    1.952100      0.7129000     -0.7650000    
 H    2.729800     -0.9894000     -4.8400000E-02
 H  -3.5999998E-02   2.707600      0.4711000    
 H   -2.246200      -1.022400      -1.936200    
 H   -2.795500      0.2752000       1.887100    
 H   0.7248000      -2.966200      -1.261300    
 H    1.794000      -1.795700      -2.076300    
 H    2.444300      -3.267100      -1.446600    
 H    1.239500       2.307700      -2.295800    
 H  -0.4882000       2.152100      -1.892600    
 H   0.2936000       3.710800      -1.809500    


%chk=000029211-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029211

0 1
Br 2.740192 -3.245696 1.605419
Br 2.692378 3.592181 -0.327989
O 0.216846 -0.311923 -2.328318
O -0.525320 1.122010 2.203425
O -3.927814 -0.816549 -0.302134
N -1.796599 -0.651077 -1.252548
N -2.178759 0.095599 0.955531
C 0.189582 0.018117 0.119762
C 0.739299 -1.337862 0.778266
C 1.361563 1.042447 -0.017220
C -0.433066 -0.297820 -1.251819
C -0.845024 0.491078 1.164670
C 2.007328 -1.962816 0.155770
C 0.942164 2.520516 -0.158412
C 1.837930 -2.771723 -1.130360
C 0.048794 2.873114 -1.350437
C -2.720889 -0.493916 -0.202126
H 0.964523 -1.068670 1.825903
H -0.067203 -2.095833 0.794698
H 2.002676 0.954411 0.876836
H 1.956028 0.751920 -0.901052
H 2.824068 -1.229003 0.074760
H 0.532543 2.904527 0.788449
H -2.189874 -0.980002 -2.141058
H -2.847456 0.296594 1.707110
H 1.056331 -3.543565 -1.016572
H 1.559935 -2.101311 -1.963178
H 2.781475 -3.274775 -1.398367
H 0.485378 2.529123 -2.302514
H -0.947261 2.397571 -1.235355
H -0.114968 3.961933 -1.404839


