%chk=000220873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220873

0 1
Br 1.607006 -2.061113 -1.746382
O 1.524273 1.299326 0.642019
O -2.683231 -0.621765 2.125891
O -4.351594 -0.806804 -0.190324
O 4.255690 -1.122645 0.311302
O 4.041759 0.377043 -1.377657
O 1.221795 3.236476 -0.492844
C 1.170658 0.515724 -0.545231
C -0.295093 0.172264 -0.472663
C 2.070005 -0.722508 -0.394657
C -0.893014 -0.083242 0.770027
C -1.050380 0.107787 -1.645629
C -2.252243 -0.405899 0.836766
C -3.019002 -0.476094 -0.361611
C -2.411559 -0.218830 -1.591182
C 3.533056 -0.383106 -0.594250
C 1.500403 2.685034 0.540405
C 1.865728 3.251941 1.865090
C -4.073791 -0.976259 2.330456
C -5.179137 -0.876842 -1.377418
C 5.702723 -0.987634 0.255662
H 1.429724 1.113273 -1.456649
H 1.908481 -1.197020 0.610086
H -0.311166 -0.021322 1.691449
H -0.588134 0.307398 -2.612542
H -2.980613 -0.265920 -2.516164
H 2.119099 2.474108 2.603901
H 1.031332 3.843106 2.277200
H 2.731085 3.928206 1.774445
H -4.723157 -0.167931 1.978043
H -4.301708 -1.916378 1.817191
H -4.118699 -1.087486 3.419620
H -5.221269 0.098514 -1.870898
H -6.154424 -1.144478 -0.951249
H -4.816352 -1.660317 -2.048957
H 6.067638 -1.445680 -0.669040
H 5.983765 0.069286 0.305134
H 6.026146 -1.542110 1.143163


%chk=000220873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220873

0 1
Br 1.682771 -2.475854 -1.252168
O 1.603800 1.410663 0.423521
O -2.808244 -1.012804 2.108031
O -4.533321 -0.394502 -0.063646
O 4.227087 -1.183655 0.839964
O 4.063241 0.158711 -1.062135
O 1.147951 2.986182 -1.241792
C 1.165529 0.311321 -0.524448
C -0.329119 0.098751 -0.422251
C 2.041935 -0.862019 -0.063538
C -0.923877 -0.405308 0.760830
C -1.159076 0.426886 -1.515809
C -2.315614 -0.584894 0.863480
C -3.150693 -0.238198 -0.247302
C -2.557465 0.256240 -1.432334
C 3.529518 -0.552242 -0.184038
C 1.533417 2.722229 -0.084382
C 1.969381 3.710402 0.974354
C -3.722601 -2.174576 2.123010
C -5.414886 0.028096 -1.156642
C 5.700662 -1.003399 0.815243
H 1.450136 0.619718 -1.545546
H 1.800170 -1.211896 0.949501
H -0.326127 -0.659628 1.642767
H -0.715197 0.831877 -2.430958
H -3.180139 0.529212 -2.289080
H 2.950029 3.421702 1.388208
H 1.244104 3.708416 1.807126
H 2.025093 4.718051 0.538204
H -4.656737 -1.949860 1.583444
H -3.227859 -3.058341 1.675139
H -3.923932 -2.359836 3.189069
H -5.282368 1.103536 -1.381441
H -6.434576 -0.151601 -0.785833
H -5.238644 -0.569881 -2.071484
H 6.113151 -1.407613 -0.124240
H 5.952691 0.067291 0.893993
H 6.065611 -1.565074 1.685688


