%chk=000270861.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270861

0 1
Br 1.015696 -3.427139 -0.999240
O -1.995953 -0.488301 -1.290044
O -1.173532 -1.267697 2.042560
O -4.186605 -0.143014 1.349400
O -4.726461 1.708847 -1.549544
N 0.090392 -0.882834 -0.258966
N -0.197702 1.498967 0.473329
N 1.897997 2.711590 0.792718
N 4.011241 1.739342 0.465509
N 4.819320 -1.743855 -0.578845
C -1.323050 -1.332180 -0.363867
C -2.110169 -1.230404 0.974579
C -2.857151 0.125965 0.884924
C -2.845864 0.500958 -0.617494
C -4.193351 0.397347 -1.344647
C 0.547585 0.396268 0.127109
C 1.233225 -1.667277 -0.503277
C 1.987213 0.388499 0.096005
C 2.394696 -0.932265 -0.303328
C 2.647673 1.602972 0.446924
C 0.535810 2.600157 0.786476
C 3.724498 -1.388581 -0.457969
H -1.371168 -2.347697 -0.830550
H -2.836273 -2.069952 1.079937
H -2.375317 0.904252 1.515474
H -2.356804 1.485637 -0.804800
H -4.921324 -0.238905 -0.810182
H -4.043263 0.014669 -2.377018
H -1.647743 -1.323226 2.903209
H -4.558276 0.641585 1.799080
H -5.121244 2.050001 -0.723660
H -0.023436 3.509587 1.066938
H 4.622369 0.981176 0.213451
H 4.431172 2.624508 0.712008


%chk=000270861-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270861

0 1
Br 1.020829 -3.513025 -0.842898
O -1.936228 -0.259353 -1.449792
O -1.367055 -1.369846 1.956703
O -4.144393 0.280635 1.422997
O -5.361725 1.202690 -0.896011
N 0.121027 -0.786591 -0.270345
N -0.095331 1.613442 0.299901
N 2.045031 2.745017 0.686952
N 4.120382 1.659678 0.557084
N 4.863117 -1.905926 -0.212585
C -1.300808 -1.146153 -0.490042
C -2.180500 -1.090226 0.784083
C -2.828188 0.311840 0.742819
C -2.955906 0.620137 -0.773971
C -4.331787 0.290040 -1.390499
C 0.631827 0.481573 0.071311
C 1.209361 -1.658887 -0.404195
C 2.050304 0.387838 0.136067
C 2.415258 -0.983143 -0.163736
C 2.755616 1.589921 0.459375
C 0.684827 2.692589 0.598410
C 3.729626 -1.516798 -0.199361
H -1.283392 -2.158365 -0.923296
H -2.995150 -1.836706 0.672285
H -2.147803 1.041573 1.212914
H -2.671181 1.661560 -0.993135
H -4.592597 -0.772191 -1.193557
H -4.279911 0.441496 -2.480323
H -1.959950 -1.567803 2.723676
H -4.116406 0.873479 2.212190
H -5.416161 1.027961 0.083497
H 0.159249 3.632911 0.789445
H 4.716843 0.848947 0.401075
H 4.535378 2.560683 0.789159


