%chk=000071266.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071266

0 1
 Br   4.692800      -2.862300       1.962200    
 O   -4.454000      0.3163000      -1.526700    
 N  -0.4507000      -1.887500     -0.9177000    
 N   -2.510900      0.2943000     -0.2970000    
 N    4.925200     -0.1085000       1.062700    
 N   -4.603300      0.4089000      0.7906000    
 C   0.8807000      -1.220300     -0.8892000    
 C   0.7893000      0.3350000     -0.8818000    
 C    1.723000      -1.791300      0.3115000    
 C   -1.632100      0.2278000      -1.439400    
 C   -1.361700      -1.220400      -1.862800    
 C    2.951800     -0.9826000      0.5312000    
 C    2.030200       1.092500     -0.6046000    
 C    3.003700      0.3512000      7.5700000E-02
 C  -0.3758000      0.9683000      -1.101300    
 C    4.233600      0.8912000      0.4135000    
 C  -0.3518000      -3.309700      -1.261700    
 C    4.155000      -1.248900       1.140900    
 C    2.348100       2.415500     -0.9346000    
 C    4.565900       2.208200      9.2900001E-02
 C    3.594300       2.957800     -0.5889000    
 C   -3.897800      0.3349000     -0.4245000    
 C   -6.058200      0.4697000      0.8376000    
 C   -3.922000      0.4296000       2.082600    
 C   -6.669400     -0.9144000      0.9082000    
 C   -3.606100       1.844800       2.520700    
 H    1.417300      -1.470200      -1.818600    
 H    2.007400      -2.830300      0.1130000    
 H    1.123200      -1.775600       1.230800    
 H   -2.115300      0.7397000      -2.280800    
 H   -2.316600      -1.759800      -1.910600    
 H  -0.9330000      -1.237300      -2.874700    
 H  -0.4470000       2.052000      -1.065100    
 H   0.1345000      -3.466500      -2.231100    
 H   -1.347900      -3.765900      -1.302200    
 H   0.1966000      -3.870600     -0.4995000    
 H   -2.066100      0.3462000      0.6093000    
 H    1.640500       3.041200      -1.472100    
 H    5.860600     -1.9200001E-02   1.434200    
 H    5.526900       2.636300      0.3546000    
 H    3.816600       3.987800     -0.8591000    
 H   -6.374300       1.081300       1.689400    
 H   -6.415300      0.9667000     -7.1400002E-02
 H   -4.585400     -3.1900000E-02   2.824700    
 H   -3.026600     -0.1967000       2.083000    
 H   -6.375900      -1.520000      4.4199999E-02
 H   -6.347900      -1.445500       1.809900    
 H   -7.761700     -0.8485000      0.9232000    
 H   -2.935800       2.340700       1.811200    
 H   -4.514700       2.450800       2.597300    
 H   -3.119200       1.839400       3.501000    


%chk=000071266-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071266

0 1
Br 5.073587 -2.187791 2.262154
O -4.139805 1.243418 -1.384651
N -0.302512 -2.053827 -0.699981
N -2.617481 -0.196486 -0.357662
N 5.002010 0.417162 0.985220
N -4.579346 0.493877 0.792406
C 0.979466 -1.289704 -0.735881
C 0.724055 0.226520 -0.934082
C 1.825592 -1.610951 0.546850
C -1.704336 -0.201138 -1.517859
C -1.212821 -1.628900 -1.798388
C 3.029053 -0.714015 0.617754
C 1.905870 1.108324 -0.762690
C 2.985297 0.571239 -0.023556
C -0.509153 0.702151 -1.274685
C 4.202592 1.274843 0.211326
C -0.103642 -3.520806 -0.694130
C 4.278424 -0.774470 1.218925
C 2.091885 2.414296 -1.276966
C 4.382679 2.580090 -0.297122
C 3.304385 3.124979 -1.037572
C -3.794778 0.552312 -0.366170
C -5.814704 1.306416 0.833282
C -4.261216 -0.353518 1.957611
C -7.073876 0.510606 0.425050
C -3.294276 0.309797 2.968766
H 1.597736 -1.621424 -1.615545
H 2.129142 -2.672674 0.539125
H 1.169635 -1.464038 1.428786
H -2.293727 0.183041 -2.369925
H -2.075881 -2.316504 -1.827675
H -0.707638 -1.662212 -2.795599
H -0.683246 1.781929 -1.361257
H 0.503876 -3.883836 -1.560319
H -1.089315 -4.015727 -0.736193
H 0.391860 -3.847413 0.234803
H -2.246639 -0.645892 0.480661
H 1.313220 2.884623 -1.887057
H 5.943104 0.600144 1.325993
H 5.301328 3.154755 -0.139986
H 3.412221 4.132836 -1.454242
H -5.928525 1.714292 1.857043
H -5.673489 2.151324 0.139197
H -5.213453 -0.590528 2.467964
H -3.854053 -1.325645 1.615449
H -6.979572 0.168403 -0.619633
H -7.223579 -0.374100 1.071965
H -7.975516 1.146476 0.503560
H -2.319800 0.545931 2.504778
H -3.720042 1.255148 3.349898
H -3.113897 -0.359133 3.830960


