%chk=000031196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031196

0 1
 Br  -3.970700       1.853800     -0.2879000    
 O  -0.1316000       1.815800      -1.531600    
 O  -0.6095000      -1.380900       1.786500    
 O    3.512200      0.4480000       1.005100    
 N    1.771000       1.053500     -0.4278000    
 N    1.457600     -0.4982000       1.328500    
 C  -0.2993000     -0.2827000     -0.3509000    
 C   -1.817700     -4.4700000E-02 -0.3582000    
 C   3.8100000E-02  -1.404100      -1.350200    
 C   0.4249000      0.9777000     -0.8199000    
 C   0.1308000     -0.7573000       1.027400    
 C   -2.219100       1.244200      0.3498000    
 C    2.338500      0.3343000      0.6418000    
 C  -0.7399000      -2.639700      -1.041500    
 C   -2.316600       1.038400       1.854900    
 C    2.607500       2.061000      -1.069000    
 C  -0.1765000      -3.819100     -0.7569000    
 H   -2.147000      1.8200001E-02  -1.405800    
 H   -2.383700     -0.8776000      7.7100001E-02
 H    1.115600      -1.616100      -1.348800    
 H  -0.2022000      -1.087900      -2.374000    
 H   -1.586900       2.110800      0.1611000    
 H    1.815800     -0.9206000       2.180700    
 H   -1.822000      -2.615300      -1.133400    
 H   -2.903000      0.1503000       2.115100    
 H   -1.329800      0.9635000       2.317700    
 H   -2.805900       1.893700       2.336900    
 H    2.231200       2.308900      -2.065400    
 H    3.638300       1.704000      -1.151100    
 H    2.594900       2.960800     -0.4460000    
 H  -0.7926000      -4.694500     -0.5826000    
 H   0.8997000      -3.933200     -0.6897000    


%chk=000031196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031196

0 1
Br -4.390486 1.383747 0.082572
O -0.004310 1.622529 -1.726552
O -0.644310 -1.616732 1.774640
O 3.422228 0.546455 1.262884
N 1.732232 1.069904 -0.281248
N 1.385819 -0.565453 1.426280
C -0.372400 -0.337763 -0.314301
C -1.908318 -0.052230 -0.339322
C -0.040991 -1.478995 -1.390153
C 0.433155 0.876398 -0.809533
C 0.066630 -0.877106 1.050329
C -2.343523 1.275093 0.312792
C 2.260818 0.356306 0.822069
C -0.732242 -2.800124 -1.143873
C -2.022891 1.445723 1.799683
C 2.593449 2.124606 -0.872647
C -0.081425 -3.985019 -1.043637
H -2.238419 -0.043453 -1.391976
H -2.407663 -0.889372 0.177838
H 1.054097 -1.634105 -1.433433
H -0.357748 -1.055383 -2.364142
H -2.005938 2.136546 -0.283817
H 1.747086 -1.014915 2.274429
H -1.828230 -2.781527 -1.080386
H -2.400926 0.598038 2.394656
H -0.925127 1.507537 1.947543
H -2.459288 2.380100 2.189303
H 2.248947 2.310326 -1.899707
H 3.637750 1.780787 -0.856334
H 2.516496 3.059126 -0.291281
H -0.624948 -4.924694 -0.899375
H 1.012577 -4.051349 -1.101400


