%chk=000028375.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028375

0 1
 Br  -6.431800     -7.6000001E-03 -0.7884000    
 O   0.5410000      1.8000000E-03  -1.306200    
 N    2.992900      5.2000000E-03 -0.1855000    
 N  -0.5558000      4.4999998E-03  0.7696000    
 C    5.430100      8.3999997E-03 -0.4442000    
 C    4.259200     -2.3100000E-02  0.5365000    
 C    6.769500      1.1000000E-03  0.2936000    
 C    1.833900      9.4999997E-03  0.7308000    
 C   -1.923700      1.8000000E-03  0.4065000    
 C   -2.584700       1.208300      0.2319000    
 C   -2.579900      -1.207700      0.2323000    
 C   0.5491000      6.8999999E-03 -7.9300001E-02
 C    7.940300     -3.5000001E-03 -0.6763000    
 C   -3.933000       1.205500     -0.1254000    
 C   -3.928200      -1.210600     -0.1252000    
 C   -1.892200       2.519700      0.4162000    
 C   -1.882000      -2.516200      0.4172000    
 C   -4.604800     -4.0000002E-03 -0.3041000    
 H    5.367500      0.9056000      -1.073300    
 H    5.375100     -0.8593000      -1.113800    
 H    4.320000     -0.9330000       1.145300    
 H    4.326400      0.8386000       1.211600    
 H    6.835100     -0.8834000      0.9380000    
 H    6.842100      0.8817000      0.9425000    
 H    2.955300      0.8387000     -0.7725000    
 H    1.847600     -0.8866000       1.361600    
 H    1.850600      0.9030000       1.365000    
 H  -0.3884000      4.6799999E-02   1.772500    
 H    8.887200     -7.6000001E-03 -0.1275000    
 H    7.915400     -0.8905000      -1.317400    
 H    7.922600      0.8842000      -1.316700    
 H   -4.461500       2.145700     -0.2658000    
 H   -4.452800      -2.153000     -0.2654000    
 H   -1.438900       2.579900       1.411300    
 H   -1.115100       2.650800     -0.3439000    
 H   -2.585100       3.363600      0.3272000    
 H   -1.106600      -2.645800     -0.3449000    
 H   -1.425700      -2.572800       1.411200    
 H   -2.572000      -3.362700      0.3319000    


%chk=000028375-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028375

0 1
Br -6.467067 -0.425791 -0.969633
O 0.556286 -0.036934 -1.170812
N 2.980246 -0.135078 0.196723
N -0.581507 0.311757 0.848738
C 5.412986 -0.445504 -0.200217
C 4.322739 0.401581 0.483563
C 6.840273 0.088823 0.054997
C 1.868811 0.605953 0.796545
C -1.935087 0.120072 0.396363
C -2.872232 1.167090 0.640898
C -2.328052 -1.098657 -0.228822
C 0.564240 0.252699 0.060959
C 7.928427 -0.769463 -0.625497
C -4.217100 0.993681 0.238789
C -3.679360 -1.237776 -0.637572
C -2.441727 2.459398 1.312028
C -1.363089 -2.245123 -0.441230
C -4.597318 -0.200093 -0.402401
H 5.223984 -0.472002 -1.294497
H 5.327510 -1.489368 0.159341
H 4.482716 0.383349 1.581356
H 4.431460 1.472663 0.166351
H 7.027322 0.124836 1.147822
H 6.912344 1.134448 -0.308380
H 2.805244 -0.287651 -0.807644
H 1.784069 0.371614 1.878357
H 1.992605 1.720541 0.718745
H -0.456921 0.633721 1.812332
H 8.939994 -0.366466 -0.434554
H 7.902556 -1.810626 -0.252552
H 7.778744 -0.802796 -1.721176
H -4.947129 1.789114 0.414182
H -4.001814 -2.163986 -1.122020
H -2.165541 2.305921 2.374831
H -1.563747 2.901140 0.805582
H -3.256313 3.201733 1.293841
H -0.679961 -2.023313 -1.280785
H -0.725986 -2.403781 0.448238
H -1.903903 -3.181828 -0.655887


