%chk=000058424.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058424

0 1
 Br   4.892800       1.831900     -0.7491000    
 O   0.7250000     -0.8252000     -0.9384000    
 O    1.367900     -0.8793000       1.295500    
 N    2.946300     -0.7005000     -0.3952000    
 C   -1.351800      0.2088000     -0.2660000    
 C   -2.695100      4.8500001E-02  0.1494000    
 C  -0.5759000     -0.9304000     -0.5357000    
 C   -3.223100      -1.246100      0.2828000    
 C  -0.8242000       1.503400     -0.3996000    
 C   -3.471200       1.187500      0.4189000    
 C   -1.116500      -2.209200     -0.3975000    
 C   -2.437700      -2.366800      1.0700000E-02
 C   -1.609600       2.623900     -0.1274000    
 C   -2.930600       2.466200      0.2812000    
 C    4.128200     -0.6581000      0.4340000    
 C    1.665800     -0.8087000      0.1068000    
 C    4.509900      0.7543000      0.8294000    
 H   -4.253200      -1.393000      0.6006000    
 H   0.2025000       1.665200     -0.7201000    
 H   -4.506200       1.088000      0.7394000    
 H  -0.5123000      -3.087800     -0.6078000    
 H   -2.858200      -3.362500      0.1178000    
 H   -1.189600       3.619700     -0.2353000    
 H   -3.541600       3.339000      0.4928000    
 H    3.950400      -1.256300       1.334200    
 H    4.933900      -1.135600     -0.1341000    
 H    3.062300     -0.6399000      -1.402200    
 H    5.414000      0.7673000       1.443500    
 H    3.701300       1.265900       1.359000    


%chk=000058424-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058424

0 1
Br 5.464536 1.916332 0.722714
O 0.760421 -0.152156 -0.135561
O 1.949727 -2.145999 0.435638
N 3.006946 -0.173664 -0.265593
C -1.552895 0.448824 -0.100306
C -2.950186 0.109092 0.075839
C -0.577535 -0.596935 0.074991
C -3.313835 -1.236200 0.414846
C -1.197570 1.795492 -0.437590
C -3.936329 1.136679 -0.094942
C -0.943889 -1.904179 0.404515
C -2.330351 -2.211646 0.573512
C -2.184045 2.772301 -0.595952
C -3.565329 2.441820 -0.424071
C 4.372000 -0.685629 -0.151889
C 1.915256 -0.951031 0.053460
C 5.160538 -0.077214 1.012642
H -4.373164 -1.484133 0.546327
H -0.141166 2.044345 -0.567365
H -4.993202 0.876716 0.038584
H -0.183555 -2.674245 0.535953
H -2.608559 -3.238832 0.832376
H -1.900994 3.798963 -0.852828
H -4.328833 3.217039 -0.551506
H 4.294097 -1.776567 0.017798
H 4.917017 -0.523960 -1.099985
H 2.851541 0.799233 -0.533860
H 6.170854 -0.506646 1.090975
H 4.622003 -0.147605 1.968879


