%chk=000039946.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039946

0 1
 Br  -7.443000      0.6232000      0.1078000    
 O  -0.9183000      -1.336300      0.1861000    
 O    6.275400       1.218100      0.5070000    
 O    4.242800       1.390600       1.494300    
 N  -0.4315000      0.8158000     -0.3320000    
 C    4.497100     -0.1472000     -0.3863000    
 C    3.059000     -0.5154000     -0.2221000    
 C   0.7330000      9.3599997E-02 -0.2318000    
 C    2.074500      0.4689000     -0.3921000    
 C   0.4390000      -1.224300      8.5600004E-02
 C    2.718600      -1.835400      9.8300003E-02
 C    1.385200      -2.226300      0.2618000    
 C    4.850800      0.3715000      -1.794000    
 C   -1.363700     -7.5800002E-02 -7.6600000E-02
 C   -2.790400      8.8399999E-02 -3.3199999E-02
 C    4.962900      0.8902000      0.6401000    
 C   -3.614800      -1.001000      0.2624000    
 C   -3.362500       1.338200     -0.2864000    
 C   -5.000000     -0.8419000      0.3043000    
 C   -4.747700       1.497500     -0.2443000    
 C   -5.566400      0.4074000      5.0999999E-02
 H    5.113100      -1.037500     -0.1986000    
 H    2.327900       1.494200     -0.6414000    
 H    3.494400      -2.587400      0.2267000    
 H    1.111300      -3.244200      0.5094000    
 H    4.495700     -0.3231000      -2.563400    
 H    4.401000       1.351400      -1.989100    
 H    5.934000      0.4781000      -1.917600    
 H   -3.212500      -1.990300      0.4657000    
 H   -2.744800       2.202600     -0.5187000    
 H   -5.624200      -1.701100      0.5359000    
 H   -5.173200       2.477600     -0.4440000    
 H    6.553700       1.886300       1.169000    


%chk=000039946-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039946

0 1
Br -7.541832 0.746570 0.190796
O -0.869723 -1.457714 0.214148
O 5.631469 0.663197 1.564865
O 4.739182 2.315706 0.200710
N -0.430951 0.763026 -0.313824
C 4.622952 -0.061840 -0.512435
C 3.156442 -0.463544 -0.281670
C 0.794714 0.053762 -0.240194
C 2.120166 0.491025 -0.428057
C 0.527572 -1.308088 0.083976
C 2.853921 -1.818252 0.048736
C 1.527074 -2.272864 0.237302
C 4.892400 0.321553 -1.990331
C -1.377112 -0.131409 -0.047462
C -2.822036 0.053094 0.012982
C 4.982667 1.106273 0.404179
C -3.692777 -1.029845 0.308207
C -3.365821 1.344265 -0.229130
C -5.086916 -0.829145 0.361388
C -4.757099 1.552898 -0.177674
C -5.603785 0.461281 0.117398
H 5.266003 -0.910492 -0.223717
H 2.336710 1.536934 -0.665725
H 3.678044 -2.531159 0.163776
H 1.303694 -3.312182 0.490098
H 4.599524 -0.509741 -2.654264
H 4.313842 1.217526 -2.271094
H 5.962798 0.541222 -2.152838
H -3.276757 -2.024139 0.494460
H -2.686683 2.172067 -0.455022
H -5.757763 -1.662120 0.588404
H -5.175272 2.545906 -0.363059
H 5.811753 1.442630 2.158869


