%chk=000238708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238708

0 1
Br -0.439265 -0.222959 -2.858697
Br -0.439115 -0.212751 2.859344
Br 3.506853 -3.543276 0.005135
O 3.376600 2.876882 -0.004950
O 5.115989 1.587422 -0.001345
O -5.467639 0.355071 -1.083867
O -5.467766 0.357347 1.082695
N 3.913823 1.783292 -0.002465
N -4.916227 0.294178 -0.000488
C -0.660253 -0.191072 0.000274
C 0.811180 -0.358628 0.000541
C 1.638950 0.771634 -0.001064
C -1.371859 -0.112447 -1.210079
C -1.371799 -0.108142 1.210381
C 1.365021 -1.648982 0.002368
C 3.027823 0.589732 -0.000801
C -3.436945 0.125856 -0.000225
C -2.758654 0.046449 -1.224073
C -2.758606 0.050698 1.223867
C 2.755781 -1.797190 0.002631
C 3.604645 -0.688493 0.001091
H 1.216767 1.784857 -0.002498
H 0.709328 -2.525880 0.003570
H -3.321478 0.109864 -2.167882
H -3.321425 0.117188 2.167472
H 4.698569 -0.797351 0.001365


%chk=000238708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238708

0 1
Br -0.478091 -0.224739 -2.927541
Br -0.478153 -0.216041 2.928138
Br 3.568792 -3.601880 0.006070
O 3.388824 2.942681 -0.004502
O 5.221842 1.585570 -0.002124
O -5.547102 0.366987 -1.141612
O -5.547111 0.370360 1.140377
N 3.948261 1.781566 -0.003056
N -4.953696 0.300099 -0.000514
C -0.661433 -0.197587 0.000266
C 0.828358 -0.361478 0.000538
C 1.665182 0.776242 -0.001357
C -1.403584 -0.114185 -1.212702
C -1.403619 -0.110588 1.212964
C 1.396000 -1.660880 0.002723
C 3.060143 0.584247 -0.001025
C -3.471829 0.127680 -0.000250
C -2.800903 0.048000 -1.235151
C -2.800937 0.051656 1.234901
C 2.799378 -1.807426 0.002999
C 3.657751 -0.693279 0.001137
H 1.259917 1.791289 -0.003034
H 0.748089 -2.542114 0.004199
H -3.365995 0.113238 -2.167307
H -3.366050 0.119648 2.166847
H 4.746265 -0.785767 0.001317


