%chk=000240500.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240500

0 1
Br 6.958839 -0.998768 -0.000223
Br -6.957030 -0.999833 -0.000114
O 0.000000 -0.979270 -0.000311
N 1.183964 1.022668 0.000167
N -1.182804 1.023104 0.000319
C 2.513655 0.493432 0.000077
C -2.512443 0.493769 0.000132
C 0.000361 0.235701 -0.000054
C 3.569963 1.431134 0.000421
C -3.568995 1.431226 -0.000593
C 2.787252 -0.885712 -0.000351
C -2.785429 -0.885373 0.000769
C 4.890302 0.982253 0.000333
C -4.889151 0.981881 -0.000658
C 4.111269 -1.324859 -0.000440
C -4.109339 -1.325003 0.000684
C 5.150850 -0.390765 -0.000099
C -5.149212 -0.391283 -0.000016
H 1.115129 2.041378 0.000589
H -1.113824 2.041797 0.000271
H 3.370757 2.500235 0.000757
H -3.370089 2.500382 -0.001109
H 1.971302 -1.619008 -0.000624
H -1.969178 -1.618308 0.001294
H 5.708713 1.705193 0.000596
H -5.707851 1.704494 -0.001212
H 4.323839 -2.396764 -0.000772
H -4.321450 -2.397000 0.001169


%chk=000240500-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240500

0 1
Br 7.143734 -0.792831 -0.000535
Br -7.142219 -0.793532 -0.000479
O 0.000628 -1.166939 0.000380
N 1.167017 0.884302 0.000404
N -1.165713 0.884271 0.000432
C 2.515897 0.435790 0.000189
C -2.514548 0.435658 0.000189
C 0.000654 0.096158 0.000565
C 3.529821 1.432877 0.000019
C -3.528589 1.432631 -0.000233
C 2.888637 -0.935223 0.000140
C -2.887108 -0.935391 0.000388
C 4.893102 1.078302 -0.000192
C -4.891821 1.077883 -0.000423
C 4.255155 -1.289778 -0.000072
C -4.253583 -1.290124 0.000175
C 5.245548 -0.287344 -0.000237
C -5.244098 -0.287814 -0.000214
H 1.057517 1.900437 0.000459
H -1.056257 1.900413 0.000342
H 3.258783 2.496922 0.000049
H -3.257681 2.496708 -0.000425
H 2.116892 -1.705999 0.000278
H -2.115265 -1.706076 0.000645
H 5.663043 1.855025 -0.000320
H -5.661865 1.854503 -0.000742
H 4.537094 -2.346873 -0.000107
H -4.535376 -2.347257 0.000326


