%chk=000289036.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289036

0 1
Br 4.922450 1.111861 1.053911
O -2.538899 -3.694311 0.747394
O 1.983376 -3.437074 -0.394809
O 0.519668 -3.188080 1.176224
N -0.699389 -0.876537 -0.213660
N -2.920601 -0.548590 -0.860006
N 1.334681 -2.760217 0.380569
C -0.246315 1.952674 -0.127953
C 0.843067 1.022332 0.141401
C -1.531490 1.449047 -0.442864
C 0.552636 -0.375338 0.102049
C -1.703026 -0.015683 -0.490422
C 1.605295 -1.299694 0.380504
C -0.053925 3.357043 -0.080808
C 2.154387 1.447799 0.433577
C -2.590259 2.351449 -0.700472
C -3.173610 -2.007275 -0.876839
C 2.896806 -0.864378 0.643738
C 3.156144 0.517409 0.673936
C -1.101858 4.222906 -0.336330
C -2.382270 3.718289 -0.648630
C -3.406140 -2.586258 0.536223
H 0.934189 3.753157 0.161032
H 2.376120 2.520445 0.465480
H -3.582500 1.969333 -0.944336
H -3.725546 0.061429 -0.959319
H -2.299892 -2.540266 -1.337343
H -4.041802 -2.201211 -1.541191
H 3.702006 -1.586453 0.825554
H -0.946672 5.302517 -0.298069
H -3.199010 4.411324 -0.847531
H -4.412670 -3.034145 0.636929
H -3.254022 -1.833378 1.330065
H -1.594128 -3.387226 0.829395


%chk=000289036-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289036

0 1
Br 4.987056 1.070034 1.007031
O -2.620574 -3.954262 0.585077
O 2.197319 -3.541425 0.046003
O 0.161587 -3.157569 0.995926
N -0.758730 -0.832708 -0.216014
N -2.956786 -0.531519 -0.844006
N 1.272934 -2.747105 0.481019
C -0.259747 1.996716 -0.140174
C 0.825334 1.044358 0.132433
C -1.574036 1.492901 -0.439244
C 0.488226 -0.361797 0.116939
C -1.750342 0.031287 -0.493519
C 1.537538 -1.297220 0.420716
C -0.067791 3.409833 -0.109750
C 2.158983 1.444508 0.405766
C -2.639385 2.407252 -0.679426
C -3.127393 -1.997186 -0.874795
C 2.862862 -0.894770 0.653153
C 3.153421 0.484246 0.649432
C -1.126983 4.293967 -0.356275
C -2.425251 3.792184 -0.640836
C -3.221000 -2.628778 0.553208
H 0.919629 3.823195 0.115041
H 2.431071 2.502638 0.423479
H -3.651259 2.044146 -0.892381
H -3.747272 0.067442 -1.071829
H -2.251063 -2.441178 -1.376165
H -4.026562 -2.222432 -1.473913
H 3.631630 -1.648555 0.838904
H -0.954040 5.374728 -0.324950
H -3.253743 4.483324 -0.826242
H -4.274570 -2.771278 0.848666
H -2.733796 -1.947221 1.277260
H -1.630467 -3.854857 0.626864


