%chk=000064978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064978

0 1
 Br  -3.570500       2.583000     -0.4500000    
 O   0.9201000      0.5178000       1.021600    
 O    1.403900       3.246300      0.6728000    
 O   -1.358400      -2.873200      0.4284000    
 O   -4.997100     -0.1574000     -0.2858000    
 N  -0.9768000     -0.5805000      0.2037000    
 N    3.395200      -1.052800      8.6000003E-03
 N   -3.162500      -1.502400      7.2300002E-02
 N    4.610000     -0.8358000     -0.1332000    
 N    5.728000     -0.6456000     -0.2568000    
 C    2.497800     -9.5700003E-02 -0.6510000    
 C    1.182300     -0.7739000     -0.9533000    
 C   0.4442000     -0.6665000      0.3690000    
 C    2.103500      0.9853000      0.3476000    
 C    1.767300       2.310100     -0.3262000    
 C   -1.793500      -1.733700      0.2487000    
 C   -1.549800      0.6705000     -5.1000002E-03
 C   -2.859500      0.8838000     -0.1732000    
 C   -3.784100     -0.2794000     -0.1381000    
 H    2.965600      0.3029000      -1.559400    
 H   0.6596000     -0.2188000      -1.742400    
 H    1.277500      -1.811000      -1.291200    
 H   0.6917000      -1.518900       1.012900    
 H    2.867400       1.154100       1.115500    
 H   0.9435000       2.228700      -1.040300    
 H    2.639300       2.704300     -0.8573000    
 H  -0.8799000       1.517600     -3.9799999E-02
 H   -3.766100      -2.319500      0.1013000    
 H   0.6489000       2.878200       1.162400    


%chk=000064978-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064978

0 1
Br -3.865439 2.359696 -1.010510
O 0.913384 0.522889 0.916625
O 1.566167 3.271924 0.987285
O -1.259685 -2.772886 0.927372
O -5.183229 -0.415290 -0.022686
N -1.054184 -0.572859 0.090091
N 3.351050 -1.168041 -0.415871
N -3.185088 -1.532899 0.438606
N 4.547525 -0.953485 -0.051198
N 5.676301 -0.959547 0.315210
C 2.512625 0.003728 -0.849556
C 1.129748 -0.568209 -1.216478
C 0.416193 -0.646424 0.151241
C 2.203378 0.986768 0.317721
C 2.008360 2.444868 -0.129680
C -1.797556 -1.709826 0.523984
C -1.682352 0.593871 -0.342402
C -3.046626 0.717367 -0.409251
C -3.926959 -0.393321 -0.007907
H 2.994691 0.522865 -1.701073
H 0.597631 0.118524 -1.897857
H 1.210783 -1.556250 -1.693366
H 0.656373 -1.579725 0.687607
H 2.963031 0.940605 1.119214
H 1.287966 2.492018 -0.977885
H 2.968167 2.880059 -0.457976
H -1.016090 1.420064 -0.600074
H -3.747700 -2.336531 0.738460
H 0.809135 2.807549 1.432057


