%chk=000040955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040955

0 1
 Br  -2.336900       1.690100     -0.2047000    
 O    1.245600      0.1140000       1.183600    
 O    1.251200     -0.1639000      -1.171100    
 O   -1.660800      -1.173600       1.242200    
 O   -1.602500      -1.450300     -0.9429000    
 N   -1.390400     -0.7960000      9.0800002E-02
 C  -0.7893000      0.5440000     -6.5800004E-02
 C   2.2000000E-02  0.8544000       1.179400    
 C   2.8200001E-02  0.5566000      -1.345200    
 C    1.971300      0.3104000     -3.1700000E-02
 C    3.261600     -0.4857000      6.5399997E-02
 H   0.2877000       1.920200       1.201500    
 H  -0.4975000      0.6676000       2.126100    
 H  -0.4868000      0.1575000      -2.226400    
 H   0.2954000       1.588400      -1.611600    
 H    2.216000       1.373400     -0.1565000    
 H    3.854800     -0.1672000      0.9283000    
 H    3.047400      -1.553200      0.1909000    
 H    3.859200     -0.3764000     -0.8451000    


%chk=000040955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040955

0 1
Br -2.397661 1.780034 -0.216816
O 1.263318 0.126279 1.203290
O 1.270767 -0.157526 -1.190697
O -1.662398 -1.295962 1.294307
O -1.650511 -1.564765 -0.968186
N -1.412895 -0.902702 0.101597
C -0.799991 0.535989 -0.066225
C 0.027872 0.920519 1.174604
C 0.035284 0.621165 -1.357247
C 2.042551 0.313173 -0.030477
C 3.297878 -0.527459 0.072206
H 0.253178 2.005603 1.114671
H -0.513931 0.691716 2.101946
H -0.499605 0.181539 -2.209509
H 0.261769 1.690387 -1.550192
H 2.240794 1.405214 -0.158967
H 3.895853 -0.208409 0.941278
H 3.023209 -1.587291 0.195396
H 3.900719 -0.417205 -0.843781


