%chk=000056563.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056563

0 1
 Br  -2.912100       3.484100      0.6878000    
 O  -7.2700001E-02  -1.083600     -0.3668000    
 N    4.969100     -0.2484000     -0.1499000    
 N   -1.064600      0.9903000      0.1146000    
 C    3.840400      0.6510000      5.7399999E-02
 C    2.523100     -0.1058000     -9.9500000E-02
 C    4.943300      -1.340800      0.8243000    
 C    6.234200      0.4825000     -5.9500001E-02
 C    1.325600      0.8207000      0.1058000    
 C  -6.3999998E-03  0.1075000     -8.2099997E-02
 C    6.076600      -2.322500      0.5785000    
 C    6.282700       1.622200      -1.063000    
 C   -2.449100      0.7100000      2.9400000E-02
 C   -4.183600     -0.9006000     -0.3761000    
 C   -2.827500     -0.5865000     -0.2852000    
 C   -4.605800      -2.290800     -0.7124000    
 C   -3.393100       1.699400      0.2548000    
 C   -5.144500      8.5299999E-02 -0.1517000    
 C   -4.749100       1.385300      0.1638000    
 C   -4.786600      -3.159300      0.5298000    
 H    3.821200       1.447400     -0.6936000    
 H    3.885200       1.128700       1.045000    
 H    2.409100     -0.9017000      0.6421000    
 H    2.469400     -0.5722000      -1.091500    
 H    4.983900     -0.9737000       1.857500    
 H    4.041100      -1.948400      0.7219000    
 H    7.075400     -0.1707000     -0.3134000    
 H    6.410500      0.8740000      0.9504000    
 H    1.369200       1.650800     -0.6098000    
 H    1.349200       1.244700       1.117100    
 H    5.903600      -3.236200       1.158700    
 H    7.046600      -1.931000      0.8997000    
 H    6.141000      -2.613900     -0.4755000    
 H    7.311800       1.990000      -1.148000    
 H    5.674300       2.478400     -0.7554000    
 H    5.970400       1.300100      -2.062300    
 H  -0.8362000       1.954300      0.3480000    
 H   -2.147100      -1.402900     -0.4692000    
 H   -5.545000      -2.268800      -1.279400    
 H   -3.870400      -2.757500      -1.379600    
 H   -6.204100     -0.1472000     -0.2176000    
 H   -5.512600       2.139900      0.3358000    
 H   -3.852800      -3.238700       1.096600    
 H   -5.097400      -4.168900      0.2429000    
 H   -5.550600      -2.744200       1.195800    


%chk=000056563-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056563

0 1
Br -2.535660 3.469590 -0.573995
O -0.148289 -1.287561 0.744219
N 5.034863 -0.116195 0.053291
N -1.001096 0.838338 0.209004
C 3.881463 0.515040 0.741980
C 2.525074 -0.024687 0.239666
C 5.347816 -1.470134 0.588726
C 6.230227 0.767730 -0.007931
C 1.334996 0.648529 0.967257
C 0.005887 -0.034682 0.632639
C 6.056239 -2.374728 -0.437817
C 6.092414 1.894714 -1.050134
C -2.338811 0.545619 -0.153524
C -4.211273 -1.027668 -0.525118
C -2.870269 -0.773255 -0.155011
C -4.757728 -2.447050 -0.465757
C -3.204654 1.607730 -0.543622
C -5.040364 0.055006 -0.909670
C -4.537283 1.375236 -0.918975
C -5.209053 -2.841966 0.966574
H 3.919785 1.604611 0.553153
H 3.941597 0.385972 1.854904
H 2.452470 -1.115661 0.400692
H 2.458378 0.144896 -0.850961
H 5.961158 -1.404053 1.523970
H 4.394048 -1.948928 0.875761
H 7.097185 0.141022 -0.285029
H 6.466687 1.206239 0.995915
H 1.305386 1.732348 0.738379
H 1.486161 0.552403 2.061802
H 6.236141 -3.378295 -0.008719
H 7.034506 -1.964170 -0.747610
H 5.431408 -2.481562 -1.341311
H 7.015008 2.504031 -1.085891
H 5.253071 2.574474 -0.815704
H 5.911397 1.464232 -2.050279
H -0.748482 1.830129 0.153365
H -2.203163 -1.587549 0.139045
H -5.616289 -2.547717 -1.156539
H -3.984449 -3.161449 -0.806107
H -6.079738 -0.126158 -1.205641
H -5.174325 2.212190 -1.218585
H -4.363224 -2.782889 1.674783
H -5.600367 -3.875563 0.983081
H -6.003246 -2.165858 1.331925


