%chk=000220844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220844

0 1
Br -0.030132 -3.279043 -1.211290
O -5.416625 1.380753 1.200150
O 5.468045 1.411207 0.866038
O -5.132303 1.795562 -0.904790
O 5.053426 1.823226 -1.217711
N -4.805744 1.277358 0.149580
N 4.794730 1.303841 -0.145240
C 0.009771 -1.907300 0.212258
C -1.247143 -1.078372 0.166452
C 1.256898 -1.071445 0.089529
C -1.993458 -0.923750 1.347238
C 2.073419 -0.912536 1.222341
C -1.675292 -0.461246 -1.020138
C 1.607998 -0.452160 -1.120967
C -3.156898 -0.154566 1.346942
C 3.230373 -0.136961 1.150785
C -2.836699 0.309481 -1.030920
C 2.762318 0.324952 -1.202867
C -3.570639 0.459274 0.155769
C 3.566853 0.478975 -0.063444
H 0.040412 -2.515208 1.155084
H -1.671983 -1.403845 2.272399
H 1.811943 -1.394258 2.165386
H -1.107033 -0.589143 -1.944696
H 0.984796 -0.583308 -2.008950
H -3.748487 -0.026198 2.261246
H 3.876250 -0.005143 2.027071
H -3.182834 0.795675 -1.950934
H 3.048639 0.812878 -2.142319


%chk=000220844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220844

0 1
Br 0.099576 -3.463189 -0.658215
O -5.609268 1.528738 0.814688
O 6.023008 0.740017 0.406928
O -5.372303 1.391380 -1.450781
O 4.984930 2.205765 -1.000734
N -4.976013 1.154740 -0.245678
N 4.984718 1.174183 -0.225176
C 0.007230 -1.737359 0.508321
C -1.304122 -1.020014 0.265255
C 1.285360 -0.953039 0.283162
C -2.045806 -0.582945 1.394794
C 2.464672 -1.382494 0.953231
C -1.798554 -0.738721 -1.036343
C 1.345228 0.194278 -0.550318
C -3.248329 0.134209 1.238706
C 3.679858 -0.695719 0.794434
C -2.999532 -0.028100 -1.211662
C 2.554955 0.894645 -0.722096
C -3.705191 0.404331 -0.067516
C 3.706215 0.437759 -0.048059
H 0.016571 -2.178387 1.517691
H -1.680015 -0.802121 2.404140
H 2.427464 -2.272930 1.590925
H -1.259559 -1.116568 -1.910966
H 0.445362 0.555172 -1.054923
H -3.831872 0.476718 2.097039
H 4.594939 -1.013329 1.300558
H -3.399924 0.190853 -2.204839
H 2.621003 1.780828 -1.358563


