%chk=000249356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249356

0 1
Br 1.651434 2.439421 -1.161402
N -1.322718 -0.142849 0.200082
N -2.552625 0.415267 0.470518
N -4.895892 0.203876 0.427158
N -3.650031 -1.080340 -1.166507
C 1.057990 0.014562 0.279168
C 2.050223 0.725130 -0.413554
C 1.375597 -1.253261 0.795442
C 3.332937 0.202744 -0.586893
C 2.657168 -1.783018 0.628361
C 3.635110 -1.056812 -0.058887
C -0.287317 0.596324 0.486219
C -3.616963 -0.170111 -0.080566
H 0.608010 -1.820870 1.324722
H 4.094811 0.765253 -1.128368
H 2.894020 -2.766041 1.034254
H 4.634477 -1.470692 -0.187025
H -0.307493 1.626891 0.877443
H -5.603317 0.392492 -0.275649
H -4.862814 0.950866 1.121604
H -2.763167 -1.536830 -1.374371
H -4.430540 -1.723403 -1.210148


%chk=000249356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249356

0 1
Br 2.153196 2.858702 -0.138587
N -1.391163 -0.053833 0.016939
N -2.595248 0.678945 0.018613
N -4.909095 0.435723 0.096079
N -3.564289 -1.522924 -0.020933
C 1.034215 0.104110 -0.016656
C 2.226147 0.883713 -0.066462
C 1.207748 -1.315340 0.032914
C 3.511175 0.304623 -0.068351
C 2.480106 -1.910020 0.031257
C 3.641829 -1.100881 -0.019458
C -0.305959 0.699401 -0.013017
C -3.661005 -0.151268 0.030532
H 0.299349 -1.924480 0.073984
H 4.398333 0.943214 -0.107586
H 2.573262 -3.000858 0.070094
H 4.639643 -1.551972 -0.020833
H -0.397782 1.795445 -0.036462
H -5.765266 -0.080222 -0.081966
H -4.928786 1.452384 0.134058
H -2.600475 -1.865623 -0.046085
H -4.347035 -2.150237 0.133527