%chk=000269258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269258

0 1
Br 2.019462 -0.630204 2.116084
O 1.922740 2.399873 0.604001
O -4.174408 -0.292692 -0.206329
N 3.202139 1.035264 -0.779232
N 3.208074 -0.270760 -1.239587
C 1.439215 -0.058123 0.316451
C -0.041247 -0.058610 0.178035
C 2.216779 -0.934864 -0.680189
C 2.147938 1.319090 0.130691
C -0.765757 -1.235922 0.472334
C -0.736740 1.089608 -0.227925
C 1.909989 -2.351630 -0.949453
C -2.143478 -1.276638 0.329800
C -2.125811 1.073073 -0.378725
C -2.817743 -0.111846 -0.102102
C -4.982594 0.839918 -0.612802
H -0.238896 -2.123702 0.829257
H -0.201726 2.023628 -0.424552
H 3.924543 1.668801 -1.106885
H 0.907291 -2.466541 -1.393538
H 1.943670 -2.952769 -0.025733
H 2.630677 -2.801230 -1.654625
H -2.717232 -2.174419 0.551363
H -2.642148 1.973396 -0.696451
H -5.992761 0.409145 -0.597602
H -4.707701 1.159982 -1.621757
H -4.892173 1.651773 0.114771


%chk=000269258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269258

0 1
Br 2.056419 -0.515162 2.228065
O 1.870605 2.482384 0.420531
O -4.269286 -0.290197 -0.235114
N 3.242013 1.000769 -0.815740
N 3.294548 -0.358387 -1.212168
C 1.441432 -0.031926 0.224656
C -0.051895 -0.057280 0.126948
C 2.268730 -0.977063 -0.633734
C 2.165002 1.335627 0.000412
C -0.774506 -1.272540 0.327090
C -0.788957 1.118355 -0.176933
C 2.042114 -2.439569 -0.863863
C -2.167627 -1.315332 0.203026
C -2.192119 1.085807 -0.314071
C -2.886654 -0.134676 -0.128474
C -5.070931 0.898680 -0.550993
H -0.241082 -2.179919 0.624884
H -0.265028 2.070258 -0.295558
H 3.968787 1.634997 -1.140903
H 1.076886 -2.625971 -1.368678
H 2.036316 -2.993679 0.092963
H 2.852771 -2.835267 -1.496621
H -2.727552 -2.240434 0.367997
H -2.725002 2.010280 -0.554005
H -6.109874 0.541035 -0.585435
H -4.787164 1.321807 -1.533493
H -4.965844 1.671003 0.234511


