%chk=000163947.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163947

0 1
 Br   4.037700      -2.778800     -0.5137000    
 O   -2.487400     -0.2804000     -0.7540000    
 O   -5.043300      0.6917000      -1.414500    
 N  -0.2710000      8.9900002E-02 -4.1000000E-03
 N   0.7291000       2.064600      0.2551000    
 N    1.679400      -1.336400     -0.2531000    
 N    3.745100     -4.4199999E-02 -0.1152000    
 N    3.758900       2.324400      0.2239000    
 C   -1.349300     -0.8929000     -0.1213000    
 C   -1.812900      -1.459300       1.216700    
 C   -3.115700     -0.7358000       1.468500    
 C   -3.642700     -0.5410000      5.8899999E-02
 C   -4.630500      0.6021000     -6.7000002E-02
 C    1.070800     -0.1550000     -6.9899999E-02
 C  -0.4263000       1.436300      0.1912000    
 C    1.673400       1.082100      9.3599997E-02
 C    3.063900       1.112800      6.6500001E-02
 C    3.021100      -1.180200     -0.2614000    
 H  -0.9819000      -1.686800     -0.7813000    
 H   -1.091200      -1.341100       2.030600    
 H   -2.013800      -2.531900       1.104900    
 H   -3.804400      -1.294800       2.107800    
 H   -2.910100      0.2296000       1.946200    
 H   -4.089400      -1.469000     -0.3205000    
 H   -4.176800       1.559500      0.2093000    
 H   -5.511800      0.4351000      0.5591000    
 H   -1.395700       1.906600      0.2846000    
 H   -4.250000      0.8398000      -1.957200    
 H    4.769500       2.320400      0.2005000    
 H    3.253400       3.189400      0.3596000    


%chk=000163947-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163947

0 1
Br 3.600913 -2.444859 1.812662
O -2.807844 -0.439742 -0.973888
O -4.907486 1.478870 -0.370045
N -0.474244 -0.006719 -0.583646
N 0.555860 2.033386 -0.863416
N 1.397310 -1.226200 0.546422
N 3.366513 0.195589 0.853378
N 3.455432 2.447103 0.149518
C -1.510568 -1.074528 -0.780498
C -1.663628 -1.977110 0.457373
C -2.630563 -1.157270 1.348482
C -3.582820 -0.493167 0.332113
C -4.025645 0.934199 0.664132
C 0.810891 -0.136490 -0.040460
C -0.560449 1.311301 -1.072588
C 1.423113 1.135826 -0.219072
C 2.758981 1.278222 0.260292
C 2.658006 -0.951817 0.950432
H -1.267621 -1.620114 -1.708183
H -0.698662 -2.207941 0.933226
H -2.139857 -2.920123 0.135104
H -3.174908 -1.795538 2.062701
H -2.074602 -0.392152 1.922118
H -4.469913 -1.117422 0.116467
H -3.129078 1.573716 0.812707
H -4.625701 0.939779 1.590412
H -1.460491 1.672695 -1.560965
H -4.452222 1.368457 -1.244407
H 4.408844 2.493870 0.503641
H 3.018539 3.254879 -0.290212


