%chk=000068416.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068416

0 1
 Br  -2.537200      -2.520900      0.1226000    
 O    1.254300       1.681900      -1.601300    
 O  -0.7730000     -0.6249000       1.951000    
 O    3.104900      -2.177900      5.1899999E-02
 N    2.123400     -0.2994000     -0.8387000    
 N    1.110400      -1.452100      0.9354000    
 C  -0.1705000      0.3005000     -0.2079000    
 C   -1.047700     -0.4713000      -1.209900    
 C  -0.8946000       1.587100      0.2144000    
 C    1.124300      0.6581000     -0.9308000    
 C   1.7600000E-02 -0.6012000       1.008000    
 C   -2.391200     -0.8169000     -0.6398000    
 C  -1.3500000E-02   2.433500       1.071600    
 C    2.169400      -1.376000      3.8899999E-02
 C   -3.445900      6.5000001E-03 -0.7113000    
 C   0.3693000       3.673200      0.7459000    
 H  -0.5381000      -1.379600      -1.560400    
 H   -1.186100      0.1313000      -2.119700    
 H   -1.791200       1.388900      0.8120000    
 H   -1.217900       2.155300     -0.6680000    
 H    2.945300     -0.1553000      -1.418800    
 H    1.185500      -2.157700       1.662900    
 H   0.3177000       2.029500       2.024700    
 H   -4.414000     -0.2730000     -0.3085000    
 H   -3.374300      0.9786000      -1.187400    
 H    1.002600       4.245400       1.415000    
 H   6.2799998E-02   4.137800     -0.1847000    


%chk=000068416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068416

0 1
Br -2.491760 -2.753114 -0.013832
O 1.120151 1.487736 -1.955171
O -0.763149 -0.520434 2.002053
O 3.248843 -2.028629 0.218193
N 2.137612 -0.273811 -0.854472
N 1.152006 -1.351920 1.005093
C -0.213716 0.346795 -0.233092
C -1.168223 -0.427698 -1.256380
C -0.853981 1.709989 0.177814
C 1.059508 0.601847 -1.065412
C 0.017110 -0.515638 1.018939
C -2.497622 -0.900141 -0.714583
C -0.019754 2.489604 1.177351
C 2.246078 -1.280332 0.126261
C -3.660311 -0.209970 -0.725683
C 0.660893 3.626150 0.885743
H -0.616033 -1.282201 -1.687672
H -1.354163 0.292858 -2.075002
H -1.843349 1.485824 0.615940
H -0.993673 2.301798 -0.743945
H 2.954503 -0.163159 -1.464518
H 1.246747 -2.017786 1.779337
H 0.003023 2.088320 2.200943
H -4.593300 -0.617809 -0.329424
H -3.685371 0.802863 -1.146165
H 1.240498 4.157134 1.649503
H 0.659734 4.053126 -0.124721


