%chk=000157758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157758

0 1
 Br   5.710400      0.5530000     -0.3077000    
 O   -3.146400       2.492600      0.2284000    
 O   0.7217000      -2.543900     -0.8895000    
 O   0.8086000      -2.507800       1.381500    
 N   -1.136100     -0.4342000      0.3320000    
 N  -0.9334000       1.792500      0.1131000    
 N    1.732000       1.690500     -9.3099996E-02
 C   -2.505600      0.1398000      0.3895000    
 C   -3.327700     -0.4104000     -0.7685000    
 C   -2.282300       1.630800      0.2360000    
 C   -3.127100     -0.1824000       1.742100    
 C   -2.631100     -0.1415000      -2.102100    
 C   -3.579200      -1.907500     -0.5901000    
 C  -0.3354000      0.5763000      0.1751000    
 C    1.103800      0.4990000      6.7299999E-02
 C    1.777100     -0.7168000      0.1253000    
 C    3.163100     -0.7082000      1.3300000E-02
 C    3.079400       1.659100     -0.1984000    
 C    3.834300      0.4982000     -0.1519000    
 C    1.074000      -1.979300      0.2976000    
 H   -4.302400      9.4700001E-02 -0.7979000    
 H   -4.183300      0.1070000       1.775600    
 H   -3.043800      -1.244000       1.996900    
 H   -2.619600      0.3685000       2.543700    
 H   -1.670300     -0.6599000      -2.186000    
 H   -3.256700     -0.5018000      -2.927300    
 H   -2.468200      0.9258000      -2.279200    
 H   -2.648800      -2.472500     -0.4706000    
 H   -4.095200      -2.312300      -1.468400    
 H   -4.223800      -2.113600      0.2697000    
 H  -0.4636000       2.682900     -5.5000000E-03
 H    3.716300      -1.643800      5.5199999E-02
 H    3.542000       2.633300     -0.3254000    
 H   0.2443000      -3.391500     -0.7630000    


%chk=000157758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157758

0 1
Br 5.870130 0.620347 0.196938
O -3.199266 2.576125 -0.004544
O 0.593299 -2.306338 -1.257794
O 1.228296 -2.946258 0.890381
N -1.125063 -0.419045 0.358460
N -0.934455 1.840291 -0.039406
N 1.814072 1.703185 0.018306
C -2.515394 0.158106 0.381478
C -3.410190 -0.498588 -0.729150
C -2.326656 1.680749 0.088329
C -3.109198 -0.003243 1.802873
C -2.793133 -0.315317 -2.137051
C -3.683254 -1.992190 -0.440563
C -0.308650 0.587014 0.114885
C 1.161309 0.497342 0.038462
C 1.857696 -0.743090 0.038448
C 3.269229 -0.716121 0.107113
C 3.170911 1.723844 0.038572
C 3.926240 0.530505 0.109360
C 1.177211 -2.084424 -0.011334
H -4.368106 0.060285 -0.693213
H -4.135408 0.403265 1.824414
H -3.124207 -1.065843 2.091738
H -2.502322 0.543092 2.545998
H -1.820917 -0.835870 -2.212552
H -3.469199 -0.735166 -2.903462
H -2.638554 0.751287 -2.382349
H -2.732846 -2.542062 -0.314800
H -4.237546 -2.442980 -1.284049
H -4.288547 -2.140647 0.470599
H -0.420269 2.709573 -0.192963
H 3.834467 -1.651413 0.146784
H 3.655931 2.703857 0.004057
H 0.111389 -3.177673 -1.246265


