%chk=000239980.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239980

0 1
Br 0.479312 3.410404 0.226030
O -3.582383 0.259051 0.151796
O -1.864873 -2.269039 0.245211
O 0.939919 -1.776697 0.304171
O 5.038300 -0.658350 -1.056357
O 4.992108 0.933845 0.513051
C -1.631580 1.502482 0.201092
C -2.185980 0.189668 0.204981
C -1.403097 -0.968918 0.247973
C 0.581285 0.526174 0.309149
C 0.000876 -0.781086 0.290820
C -0.246869 1.652844 0.254717
C -2.760649 2.412312 0.139320
C -3.882615 1.644171 0.112704
C 2.041021 0.687499 0.399690
C 2.912285 -0.029846 -0.324066
C -3.309582 -2.428966 0.235055
C 0.497184 -3.149675 0.482039
C 4.359608 0.180861 -0.194410
H -2.676756 3.485026 0.120453
H -4.936610 1.816090 0.069378
H 2.389834 1.452345 1.111363
H 2.604895 -0.810104 -1.030512
H -3.746834 -1.973413 1.129412
H -3.413059 -3.519939 0.244842
H -3.730060 -1.992293 -0.677117
H -0.096936 -3.462625 -0.384139
H -0.070930 -3.249579 1.411801
H 1.455941 -3.680325 0.531298
H 6.023246 -0.540717 -0.997942


%chk=000239980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239980

0 1
Br 0.437850 3.453119 0.241958
O -3.662168 0.301030 0.484404
O -2.019365 -2.278356 0.136870
O 0.714602 -1.945262 -0.107803
O 5.218105 -0.920283 -0.725390
O 4.855830 1.283926 -0.072154
C -1.682113 1.502812 0.354837
C -2.261787 0.202670 0.336944
C -1.510588 -0.978767 0.177932
C 0.549155 0.476291 0.102300
C -0.096370 -0.822143 0.083121
C -0.284128 1.629018 0.235166
C -2.784734 2.438500 0.515121
C -3.937657 1.693551 0.588844
C 2.003821 0.641515 0.011861
C 2.968605 -0.271942 -0.325675
C -3.379759 -2.480233 -0.409342
C 0.685732 -3.002910 0.933475
C 4.381858 0.150487 -0.344621
H -2.706871 3.521714 0.568549
H -4.988359 1.941094 0.710225
H 2.372451 1.653123 0.229107
H 2.744255 -1.301739 -0.598702
H -4.144306 -2.056741 0.261731
H -3.488987 -3.572334 -0.480763
H -3.464765 -2.023254 -1.411816
H -0.315822 -3.456310 0.994876
H 0.983121 -2.577969 1.910115
H 1.429841 -3.742366 0.601991
H 6.159556 -0.597039 -0.731359


