%chk=000179466.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179466

0 1
Br -2.248020 2.696935 -0.003201
Br -3.950457 -0.234611 -0.005953
O 0.698975 2.130347 -0.000012
O -1.946542 -2.521514 -0.003934
C 2.374324 -0.215300 0.002075
C 0.839728 -0.263754 0.000194
C 2.832942 0.527131 1.268953
C 2.835850 0.528093 -1.263136
C 2.987285 -1.627086 0.002268
C 0.125792 1.069968 -0.000744
C 0.132019 -1.398472 -0.001063
C -1.388871 1.013362 -0.002381
C -1.353480 -1.472543 -0.002787
C -2.066836 -0.138753 -0.003457
H 2.447674 0.059883 2.180427
H 3.926197 0.538773 1.344437
H 2.507932 1.577770 1.265986
H 2.509889 1.578420 -1.260563
H 2.453539 0.060894 -2.175871
H 3.929316 0.540784 -1.335499
H 2.702426 -2.200887 -0.886275
H 2.700505 -2.201441 0.889835
H 4.083274 -1.572615 0.003451
H 0.603542 -2.389486 -0.000851


%chk=000179466-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179466

0 1
Br -2.308965 2.748238 -0.000752
Br -4.042936 -0.299327 -0.008327
O 0.669897 2.194105 0.004225
O -1.961301 -2.583999 -0.007463
C 2.374859 -0.201073 0.002072
C 0.836346 -0.231797 0.000651
C 2.883649 0.538809 1.280616
C 2.886184 0.537245 -1.276380
C 2.968905 -1.633739 0.003522
C 0.077859 1.076514 0.002917
C 0.112275 -1.394618 -0.002095
C -1.433272 1.025967 -0.000815
C -1.366876 -1.465216 -0.003483
C -2.119838 -0.162803 -0.003776
H 2.531883 0.032473 2.198492
H 3.988985 0.527112 1.287477
H 2.547595 1.587031 1.300692
H 2.550414 1.585511 -1.298334
H 2.536058 0.029895 -2.194325
H 3.991530 0.525286 -1.281150
H 2.673360 -2.207787 -0.894376
H 2.672846 -2.206176 0.902274
H 4.070691 -1.561328 0.003797
H 0.596856 -2.374425 -0.003562


