%chk=000179267.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179267

0 1
Br 5.344812 -2.404547 0.415547
O 0.484692 1.450093 -0.870982
O -3.221469 -2.801253 -0.649417
O -1.077936 -2.228934 -0.934475
O 1.492596 2.227781 0.998879
N -1.419561 1.631639 1.376964
N -2.161774 -0.660311 1.461796
N 1.617938 -1.073656 -0.499912
C -1.772263 1.852108 -0.051935
C -2.132771 0.541389 -0.798379
C -2.659435 -0.603605 0.083833
C -0.534012 2.478868 -0.767067
C -2.933753 2.854077 -0.101476
C -1.568694 0.375022 1.981150
C -2.183547 -1.925549 -0.534180
C 1.410354 1.354212 0.165577
C 2.151938 0.110075 0.039775
C 3.481042 -0.143143 0.436512
C 2.578263 -2.059075 -0.439337
C 3.740570 -1.493891 0.128063
H -1.221948 0.191579 -1.344605
H -2.870180 0.763398 -1.593886
H -3.785585 -0.591141 0.122511
H -0.131936 3.365665 -0.245328
H -0.737189 2.727538 -1.823163
H -2.695794 3.787254 0.424377
H -3.215470 3.113374 -1.126864
H -3.825043 2.441245 0.392115
H -0.756838 2.296685 1.784992
H -1.192966 0.300322 3.019984
H -2.945898 -3.692992 -1.002357
H 0.656273 -1.185897 -0.822980
H 4.157096 0.562368 0.885951
H 2.417191 -3.072198 -0.775581


%chk=000179267-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179267

0 1
Br 5.287105 -2.532883 0.744231
O 0.453794 1.413133 -0.967392
O -3.137766 -2.931925 -0.622528
O -1.024473 -2.092638 -1.031468
O 1.770442 2.440195 0.690972
N -1.309920 1.497803 1.288600
N -2.256716 -0.725273 1.443236
N 1.669361 -1.026074 -0.535736
C -1.791178 1.857187 -0.063140
C -2.272674 0.583314 -0.835104
C -2.736359 -0.630290 0.031203
C -0.581987 2.455335 -0.838167
C -2.910712 2.924630 0.042245
C -1.582425 0.296379 1.913723
C -2.194067 -1.920431 -0.601856
C 1.512172 1.433687 -0.018117
C 2.213250 0.158801 -0.018906
C 3.495680 -0.136349 0.499481
C 2.563944 -2.059433 -0.353124
C 3.707500 -1.523261 0.274875
H -1.428856 0.246463 -1.458758
H -3.092532 0.878885 -1.513251
H -3.837522 -0.709116 0.054783
H -0.160011 3.336313 -0.319323
H -0.870687 2.724623 -1.867232
H -2.563220 3.811433 0.603898
H -3.237461 3.256081 -0.960691
H -3.784555 2.507158 0.572072
H -0.710964 2.172790 1.768876
H -1.187076 0.211271 2.934524
H -2.729072 -3.776545 -0.958443
H 0.701680 -1.151471 -0.872415
H 4.172473 0.579321 0.959963
H 2.341533 -3.080614 -0.650929


