%chk=000002431.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002431

1 1
 Br -0.3938000       2.605400      0.6726000    
 N    1.807700     -0.4194000      0.2389000    
 C   0.6557000     -0.3614000       1.231600    
 C    1.807300      0.8414000     -0.6134000    
 C    1.643600      -1.638200     -0.6579000    
 C    3.124600     -0.5198000      0.9953000    
 C  -0.6867000     -0.2610000      0.5691000    
 C    2.954500      0.7777000      -1.597800    
 C   -1.263700      0.9694000      0.2677000    
 C   -1.350500      -1.445100      0.2593000    
 C   -2.514300       1.016300     -0.3483000    
 C   -2.601200      -1.398000     -0.3566000    
 C   -3.183100     -0.1673000     -0.6604000    
 H   0.8515000      0.4595000       1.930400    
 H   0.7069000      -1.275800       1.838900    
 H   0.8836000      0.9018000      -1.190200    
 H    1.985300       1.692300      4.4900000E-02
 H    2.587600      -1.841300      -1.172100    
 H    1.414500      -2.504400     -2.9300001E-02
 H   0.8546000      -1.458700      -1.393100    
 H    3.033200      -1.330500       1.725600    
 H    3.939300     -0.7621000      0.3089000    
 H    3.307900      0.4268000       1.512300    
 H    2.932900       1.687000      -2.211500    
 H    3.939400      0.7681000      -1.124600    
 H    2.884600     -5.5500001E-02  -2.301500    
 H  -0.9231000      -2.414100      0.5009000    
 H   -2.983700       1.965800     -0.5928000    
 H   -3.123600      -2.319400     -0.5966000    
 H   -4.157200     -0.1309000      -1.139300    


%chk=000002431-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002431

1 1
Br -0.611402 2.704919 0.986003
N 1.878805 -0.472894 0.211329
C 0.641668 -0.351874 1.186484
C 1.913459 0.754099 -0.739097
C 1.794894 -1.766511 -0.588183
C 3.128305 -0.504202 1.087113
C -0.710427 -0.230666 0.523895
C 3.077453 0.778271 -1.735773
C -1.390955 1.009826 0.357881
C -1.405763 -1.410338 0.128341
C -2.678022 1.080692 -0.214544
C -2.688695 -1.356571 -0.450324
C -3.322206 -0.106098 -0.629838
H 0.862306 0.525705 1.816303
H 0.694074 -1.262026 1.808327
H 0.944223 0.750601 -1.264712
H 1.937141 1.637920 -0.080082
H 2.713893 -1.887302 -1.178766
H 1.695745 -2.612170 0.110163
H 0.922320 -1.724051 -1.254926
H 3.035870 -1.325392 1.814967
H 4.014657 -0.670513 0.459021
H 3.221594 0.455407 1.618110
H 2.982695 1.706229 -2.326955
H 4.067619 0.811805 -1.251225
H 3.053082 -0.057430 -2.454722
H -0.939469 -2.387179 0.304554
H -3.178007 2.046878 -0.322255
H -3.198487 -2.279975 -0.740325
H -4.322572 -0.048560 -1.069764


