%chk=000028228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028228

0 1
 Br  -6.436700      0.5349000      0.3848000    
 O   0.4488000     -1.8999999E-02   1.465500    
 N    2.914100     -4.4599999E-02  0.2270000    
 N  -0.5429000     -0.5976000     -0.5824000    
 C    4.195600     -0.4566000     -0.3447000    
 C    2.686400       1.381500     -3.5000001E-03
 C    1.823100     -0.8350000     -0.3419000    
 C    4.474700      -1.921600     -1.8800000E-02
 C    3.809200       2.205200      0.6218000    
 C   0.5127000     -0.4316000      0.3119000    
 C    5.813600      -2.369500     -0.5845000    
 C    3.584600       3.695100      0.4145000    
 C   -1.915000     -0.3339000     -0.3571000    
 C   -2.729000      -1.339400      0.1427000    
 C   -2.422200      0.9255000     -0.6400000    
 C   -4.081300      -1.079600      0.3648000    
 C   -3.774600       1.185400     -0.4180000    
 C   -2.198000      -2.701600      0.4529000    
 C   -1.558700       2.019600      -1.179200    
 C   -4.604200      0.1828000      8.4200002E-02
 H    4.222800     -0.2952000      -1.430200    
 H    5.035200      8.7600000E-02  9.3900003E-02
 H    2.626700       1.598700      -1.078700    
 H    1.749300       1.731400      0.4406000    
 H    1.769500     -0.7158000      -1.431200    
 H    1.905900      -1.901100     -0.1120000    
 H    4.469300      -2.080400       1.066400    
 H    3.731400      -2.593800     -0.4559000    
 H    3.885900       1.996600       1.695500    
 H    4.783300       2.002200      0.1696000    
 H    5.836700      -2.260600      -1.673600    
 H    6.635100      -1.781700     -0.1626000    
 H    5.994100      -3.422300     -0.3449000    
 H    3.545000       3.942800     -0.6512000    
 H    2.646800       4.018700      0.8775000    
 H    4.399800       4.269100      0.8665000    
 H  -0.3595000      -1.129500      -1.430500    
 H   -4.729000      -1.860400      0.7572000    
 H   -4.183100       2.169700     -0.6355000    
 H   -1.719700      -3.139100     -0.4299000    
 H   -1.471700      -2.651100       1.270500    
 H   -2.992900      -3.389300      0.7617000    
 H   -1.040600       1.691400      -2.086600    
 H   -2.143100       2.906700      -1.446800    
 H  -0.8196000       2.324800     -0.4313000    


%chk=000028228-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028228

0 1
Br -6.464645 0.588364 0.927162
O 0.475536 -0.455111 1.542647
N 2.946836 -0.135831 -0.202145
N -0.550934 -0.553896 -0.563387
C 4.293664 -0.737015 -0.361279
C 2.755642 1.149002 -0.919044
C 1.851653 -1.092839 -0.408111
C 4.720685 -1.608905 0.839758
C 3.441449 2.341703 -0.218392
C 0.547065 -0.660624 0.301287
C 6.134604 -2.199934 0.651461
C 3.205600 3.669211 -0.970886
C -1.908873 -0.268620 -0.187093
C -2.917457 -1.196427 -0.585359
C -2.238334 0.925077 0.519229
C -4.267117 -0.930433 -0.257172
C -3.597822 1.156443 0.851957
C -2.556790 -2.464444 -1.338802
C -1.196884 1.958159 0.890982
C -4.585431 0.235078 0.464321
H 4.369213 -1.340464 -1.303948
H 5.021149 0.089302 -0.464213
H 3.107101 1.086866 -1.982094
H 1.668472 1.356921 -0.961544
H 1.649299 -1.289240 -1.497522
H 2.141355 -2.059251 0.042518
H 4.674869 -0.986705 1.752392
H 3.996557 -2.433619 0.990489
H 3.049740 2.404020 0.813670
H 4.529848 2.156178 -0.131986
H 6.188224 -2.835211 -0.253416
H 6.891807 -1.400079 0.544911
H 6.423787 -2.822447 1.517203
H 3.600266 3.622090 -2.003868
H 2.126325 3.906347 -1.033887
H 3.703872 4.511431 -0.458010
H -0.391403 -0.849844 -1.530460
H -5.050085 -1.635539 -0.550762
H -3.870670 2.064448 1.397583
H -2.205289 -2.252670 -2.368963
H -1.750865 -3.019698 -0.824450
H -3.430081 -3.131269 -1.426571
H -0.513136 2.158096 0.044363
H -1.671186 2.908850 1.186345
H -0.569817 1.591929 1.723586


