%chk=000108741.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108741

0 1
 Br  -3.954300     -0.9086000      -2.750600    
 Br  -3.945100      0.2639000       2.888000    
 O    5.053500       2.341900     -0.1047000    
 O    4.550600      -2.459100      0.1313000    
 O    7.107600       1.968100      -1.093600    
 O    6.598800      -2.499300       1.199100    
 O   -8.943600     -2.9600000E-02  -1.104500    
 O   -8.939800      0.4163000       1.045000    
 N    3.362300      9.0200000E-02 -2.8700000E-02
 N   -2.205700      0.6609000     -0.1384000    
 N   -2.753300     -0.4429000      9.1899998E-02
 N   -8.337100      0.1307000     -1.7800000E-02
 C    4.156000      0.4022000      -1.200700    
 C    4.030200     -0.3601000       1.176500    
 C    1.960000      0.2356000     -5.6299999E-02
 C    4.393000       1.900500      -1.284100    
 C    3.950800      -1.873800       1.280100    
 C    1.264400      6.1400000E-02  -1.252800    
 C    1.268100      0.5520000       1.112800    
 C  -0.1229000      0.2035000      -1.280100    
 C  -0.1191000      0.6940000       1.085600    
 C  -0.8147000      0.5198000     -0.1109000    
 C    6.420100       2.324400     -0.1462000    
 C    5.889200      -2.721500      0.2274000    
 C   -4.151200     -0.3007000      6.4499997E-02
 C    6.975700       2.813000       1.157200    
 C    6.381400      -3.333500      -1.048900    
 C   -4.845900     -0.4759000      -1.131800    
 C   -4.841700      1.6899999E-02   1.233400    
 C   -6.924900     -1.6000001E-02  9.9999998E-03
 C   -6.233400     -0.3336000      -1.158900    
 C   -6.229000      0.1593000       1.206200    
 H    3.732800      2.6600000E-02  -2.135500    
 H    5.129900     -9.7000003E-02  -1.122200    
 H    3.660000      0.1098000       2.090800    
 H    5.088600     -7.4900001E-02   1.133100    
 H    4.960300       2.158400      -2.186300    
 H    3.443600       2.443500      -1.347400    
 H    4.418500      -2.228700       2.206000    
 H    2.908400      -2.209600       1.309200    
 H    1.747000     -0.2119000      -2.184100    
 H    1.758900      0.7253000       2.063700    
 H  -0.6556000      6.1999999E-02  -2.216700    
 H  -0.6477000      0.9485000       2.000400    
 H    6.643100       2.160900       1.968700    
 H    6.654900       3.842500       1.333900    
 H    8.068500       2.789600       1.117300    
 H    6.221100      -2.639300      -1.877700    
 H    5.862500      -4.277800      -1.231200    
 H    7.453300      -3.534400     -0.9653000    
 H   -6.760200     -0.4735000      -2.100400    
 H   -6.752400      0.4073000       2.127100    


%chk=000108741-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108741

0 1
Br -4.635496 -2.984453 -0.224239
Br -4.266376 2.872245 0.206881
O 5.464492 2.079678 0.363621
O 5.262623 -2.281717 -0.257388
O 7.198673 1.259988 -0.961964
O 6.816542 -1.664396 1.367099
O -9.597897 -0.870495 0.340090
O -9.428393 1.405555 0.468096
N 3.171878 0.029137 -0.138725
N -2.455306 0.448317 -0.709709
N -3.228898 -0.284263 0.054782
N -8.910236 0.225552 0.352696
C 4.078475 0.619655 -1.144825
C 3.814545 -0.655856 1.002257
C 1.786269 0.114447 -0.260765
C 4.567497 2.047200 -0.829903
C 4.178711 -2.134115 0.759484
C 1.171361 0.966219 -1.241931
C 0.914166 -0.654492 0.592926
C -0.219903 1.039451 -1.356590
C -0.472672 -0.570602 0.477035
C -1.069633 0.281187 -0.502651
C 6.789004 1.654819 0.156372
C 6.569774 -2.014977 0.187944
C -4.618973 -0.071517 0.002432
C 7.584139 1.701856 1.436954
C 7.569171 -2.163187 -0.931527
C -5.464215 -1.228928 -0.005339
C -5.276553 1.197917 0.126183
C -7.444195 0.121893 0.228785
C -6.856334 -1.156375 0.096321
C -6.670147 1.301807 0.247453
H 3.577387 0.633352 -2.128458
H 4.950946 -0.042309 -1.259087
H 3.154063 -0.600956 1.884899
H 4.726677 -0.101551 1.273725
H 5.121829 2.443944 -1.699998
H 3.741108 2.720045 -0.553711
H 4.519181 -2.587748 1.708200
H 3.340497 -2.705880 0.332393
H 1.782180 1.589293 -1.899887
H 1.333813 -1.340609 1.333745
H -0.688707 1.695149 -2.097661
H -1.127265 -1.167755 1.120043
H 7.623018 0.681341 1.863471
H 7.123907 2.379489 2.170758
H 8.617879 2.013972 1.218961
H 7.802130 -1.156618 -1.328440
H 7.170876 -2.786311 -1.745482
H 8.503905 -2.593512 -0.538283
H -7.490400 -2.045020 0.073616
H -7.169619 2.267434 0.352745


