%chk=000122972.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122972

0 1
 Br  -4.825500     -5.8800001E-02  5.7999998E-02
 O  -0.7772000     -9.3300000E-02  0.3497000    
 O    1.786100      -2.174100      0.7224000    
 O    1.755300      -1.409800      -1.344000    
 O   -2.260100       1.260700     -0.7791000    
 N    1.736200      -1.262600     -0.1144000    
 C    1.621800      0.1254000      0.3976000    
 C    2.834400      0.9129000     -9.7499996E-02
 C   0.3095000      0.6896000     -0.1334000    
 C    2.884900       2.336200      0.4462000    
 C   -2.027100      0.3048000     -5.3199999E-02
 C   -3.038300     -0.6309000      0.5477000    
 H    1.604700      6.2300000E-02   1.492200    
 H    3.753600      0.3963000      0.2085000    
 H    2.858200      0.9591000      -1.193900    
 H   0.1728000       1.714800      0.2286000    
 H   0.2881000      0.7083000      -1.230600    
 H    2.824800       2.341500       1.539100    
 H    2.070700       2.948900      4.8999999E-02
 H    3.826800       2.813500      0.1570000    
 H   -2.985400     -0.6073000       1.637900    
 H   -2.906300      -1.642000      0.1577000    


%chk=000122972-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122972

0 1
Br -3.751582 0.416314 1.999782
O -0.819208 -0.126158 0.200328
O 2.309617 -2.024182 1.055972
O 1.725050 -1.735531 -1.130012
O -2.239703 0.941034 -1.311603
N 1.872259 -1.317742 0.077231
C 1.568128 0.169690 0.373169
C 2.833909 0.990347 0.010856
C 0.330953 0.600450 -0.402560
C 2.777696 2.433928 0.557476
C -2.068562 0.156145 -0.354489
C -3.151809 -0.619010 0.364214
H 1.384381 0.197327 1.460249
H 3.710378 0.472700 0.442630
H 2.965660 0.994565 -1.087633
H 0.159557 1.685876 -0.304471
H 0.409906 0.336056 -1.470873
H 2.637859 2.441509 1.653868
H 1.962076 3.024739 0.103991
H 3.724601 2.956893 0.336693
H -2.790766 -1.585325 0.740089
H -4.042400 -0.714126 -0.269406


