%chk=000239981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239981

0 1
Br 3.469380 -2.081511 -1.308698
O -0.287073 -0.890269 1.128973
O 3.391836 -2.063065 1.837636
O 3.880605 0.118749 1.703141
N -0.162966 0.962562 -0.188730
C 1.243250 1.267433 0.196129
C 2.234244 0.431302 -0.650405
C 1.504564 2.780908 0.060066
C 2.491537 -0.939649 -0.034915
C 1.447568 3.317040 -1.365826
C -0.840920 -0.132272 0.344667
C 3.328304 -0.842372 1.221095
C -2.262648 -0.280222 -0.102256
C -3.269034 -0.336506 0.870861
C -2.580876 -0.399324 -1.461256
C -4.601494 -0.493506 0.478412
C -3.914550 -0.561351 -1.846275
C -4.923989 -0.604280 -0.878080
H 1.366965 0.988377 1.283175
H 1.850296 0.323277 -1.685784
H 3.195185 0.983892 -0.747958
H 0.781073 3.332457 0.696113
H 2.502005 2.998867 0.500628
H 1.526223 -1.478260 0.204276
H -0.604816 1.583067 -0.860360
H 1.643514 4.397300 -1.382589
H 0.468782 3.161508 -1.831638
H 2.198711 2.846572 -2.011732
H -3.008143 -0.268213 1.928583
H -1.794478 -0.381401 -2.214962
H -5.387351 -0.536033 1.231675
H -4.167349 -0.658922 -2.901124
H -5.963071 -0.729703 -1.181568
H 3.925414 -2.040751 2.679529


%chk=000239981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239981

0 1
Br 3.837163 -1.973119 -1.153327
O -0.225577 -0.479490 1.479086
O 2.460042 -2.331952 1.860283
O 3.314433 -0.184523 2.098516
N -0.015794 1.013098 -0.282408
C 1.352250 1.429885 0.099025
C 2.445051 0.538129 -0.566944
C 1.564589 2.930504 -0.232161
C 2.427364 -0.913669 -0.084199
C 1.510578 3.304354 -1.731975
C -0.736895 0.093073 0.459205
C 2.787733 -1.069621 1.386719
C -2.148990 -0.190084 0.014141
C -3.021289 -0.792010 0.956618
C -2.628228 0.089816 -1.293069
C -4.356331 -1.084440 0.609409
C -3.963485 -0.208524 -1.642048
C -4.832868 -0.789627 -0.689940
H 1.427336 1.302919 1.194071
H 2.314965 0.545160 -1.663522
H 3.433017 0.975925 -0.335407
H 0.804337 3.514139 0.322653
H 2.548409 3.225433 0.178610
H 1.494941 -1.452011 -0.301450
H -0.469824 1.508245 -1.050819
H 1.657242 4.391756 -1.858420
H 0.536183 3.058778 -2.197911
H 2.299318 2.793857 -2.312312
H -2.624280 -1.024885 1.949969
H -1.963962 0.503209 -2.062204
H -5.023622 -1.543815 1.346623
H -4.322040 0.001737 -2.655567
H -5.868836 -1.019882 -0.962126
H 2.667769 -2.386663 2.831685


