%chk=000039617.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039617

0 1
 Br  -4.399700      0.5433000       2.685500    
 O    1.270200       4.114000     -0.1682000    
 O   -1.081100       3.668000     -0.4241000    
 O   -1.260000      -2.946300      -1.459600    
 O   -2.548000     -0.7315000      0.8744000    
 O    5.345400      -1.468600       1.242100    
 O    3.261100      -1.090800       2.063000    
 N  -5.9500001E-02  -1.191800     -0.6809000    
 C    1.480900      0.4479000     -0.4166000    
 C   0.1022000      0.1941000     -0.5593000    
 C    2.143200     -0.8024000     -0.4484000    
 C    1.189900      -1.776600     -0.6026000    
 C    1.949100       1.774600     -0.2753000    
 C  -0.8381000       1.246700     -0.5756000    
 C    3.601300      -1.020000     -0.3315000    
 C    1.004900       2.783600     -0.2895000    
 C  -0.3333000       2.528000     -0.4346000    
 C    1.431400      -3.237700     -0.6817000    
 C   -1.273800      -1.899100     -0.8210000    
 C  -5.7599999E-02   4.668100     -0.2521000    
 C   -2.569300      -1.462500     -0.2654000    
 C    4.021400      -1.204800       1.109800    
 C   -3.850900      -1.664900     -0.7013000    
 C   -4.684900      -1.011700      0.2371000    
 C   -3.844700     -0.4595000       1.175900    
 H    3.004700       1.996600     -0.1599000    
 H   -1.896300       1.089500     -0.7340000    
 H    4.148300     -0.1591000     -0.7323000    
 H    3.915600      -1.899900     -0.9027000    
 H   0.7218000      -3.790800     -5.7300001E-02
 H    1.339800      -3.586900      -1.715100    
 H    2.428400      -3.514000     -0.3258000    
 H  -0.2639000       5.227400      0.6677000    
 H  -9.6600004E-02   5.360200      -1.101100    
 H   -4.156700      -2.211400      -1.582000    
 H   -5.764400     -0.9555000      0.2226000    
 H    5.606900      -1.566500       2.182500    


%chk=000039617-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039617

0 1
Br -4.091883 0.459963 2.893037
O 1.436211 4.115189 -0.249714
O -0.907017 3.765023 -0.596758
O -1.383953 -2.912097 -1.763668
O -2.490825 -0.686955 0.870650
O 4.509098 -0.002251 1.556695
O 4.031830 -2.258475 1.850241
N -0.105727 -1.232088 -0.724931
C 1.519682 0.368702 -0.416835
C 0.109224 0.174625 -0.579510
C 2.152988 -0.940169 -0.484210
C 1.165556 -1.898802 -0.683992
C 2.071651 1.674025 -0.269253
C -0.805747 1.254072 -0.667516
C 3.638562 -1.196006 -0.356765
C 1.157391 2.722514 -0.320955
C -0.232215 2.517112 -0.523786
C 1.292265 -3.392234 -0.761322
C -1.330907 -1.898928 -1.004095
C 0.105652 4.766722 -0.173309
C -2.557552 -1.412367 -0.354138
C 4.068225 -1.257001 1.105110
C -3.893323 -1.650003 -0.670477
C -4.702003 -1.049076 0.356869
C -3.813843 -0.483934 1.264434
H 3.140372 1.838600 -0.116947
H -1.876722 1.138252 -0.833173
H 4.205774 -0.396127 -0.862158
H 3.907149 -2.159563 -0.819128
H 0.618441 -3.894396 -0.043061
H 1.030890 -3.777063 -1.761651
H 2.322433 -3.690680 -0.509055
H -0.095081 5.059383 0.875723
H 0.081159 5.616749 -0.871432
H -4.237147 -2.199959 -1.543730
H -5.786493 -1.034514 0.425978
H 4.733586 -0.058543 2.525529


