%chk=000227440.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227440

0 1
Br 2.574023 -3.438549 2.311638
Br 0.865045 3.080819 -2.859708
Br 2.034525 -0.569238 -2.615227
Br 3.424068 1.965848 2.137737
O -2.731983 -3.202983 0.698921
O -1.708578 0.256492 2.374450
O 3.436149 -2.063912 -0.338251
O 3.098051 3.053609 -0.700659
C -3.004016 -1.028673 -0.204062
C -2.749786 0.275085 0.244353
C -2.199446 -2.214122 0.252441
C -1.630215 0.565843 1.206975
C -0.711072 -2.120367 0.108371
C -0.410635 1.236424 0.656316
C -4.083682 -1.267812 -1.066978
C -3.579269 1.329730 -0.158474
C -4.897515 -0.211397 -1.483873
C -4.648717 1.086111 -1.025021
C -0.135378 -1.501549 -1.009411
C 0.716749 1.312419 1.493186
C 0.095713 -2.703928 1.097649
C -0.362090 1.760118 -0.643584
C 1.485154 -2.643032 0.981717
C 0.814494 2.345761 -1.112809
C 1.253657 -1.440833 -1.122114
C 1.896869 1.880074 1.017485
C 2.074039 -2.017851 -0.133873
C 1.954221 2.403132 -0.289315
C 4.201565 -1.045842 0.363957
C 4.016620 2.227140 -1.470724
H -4.294088 -2.287741 -1.398716
H -3.399033 2.339913 0.212571
H -5.734158 -0.402342 -2.156794
H -5.293050 1.908922 -1.337328
H -0.773021 -1.066578 -1.785622
H 0.651309 0.915069 2.516381
H -0.376304 -3.206238 1.952462
H -1.241354 1.709228 -1.294812
H 5.225928 -1.422298 0.250345
H 3.919906 -0.984117 1.418713
H 4.066073 -0.082267 -0.153580
H 3.617397 2.076223 -2.477929
H 4.199126 1.270736 -0.955850
H 4.916510 2.854573 -1.485152


%chk=000227440-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227440

0 1
Br 2.158564 -4.932876 2.147028
Br 1.102567 3.387341 -3.229320
Br 1.993484 -1.665366 -2.673563
Br 2.659296 4.059065 2.342895
O -2.955955 -3.016510 1.405866
O -1.024115 -0.000419 1.960683
O 3.163254 -3.624179 -0.528062
O 2.617728 4.570402 -0.754249
C -2.965043 -1.045980 0.030515
C -2.429844 0.280065 0.032141
C -2.282322 -2.234220 0.673562
C -1.216626 0.603823 0.860303
C -0.843870 -2.533206 0.356894
C -0.243308 1.651832 0.399535
C -4.216470 -1.288113 -0.584534
C -3.159761 1.323482 -0.597370
C -4.929799 -0.244402 -1.213362
C -4.398919 1.065157 -1.221288
C -0.207529 -2.023928 -0.802301
C 0.591361 2.256850 1.375226
C -0.136240 -3.401087 1.226152
C -0.085502 1.994049 -0.968610
C 1.197480 -3.728896 0.946177
C 0.892840 2.931668 -1.341979
C 1.130219 -2.366967 -1.065550
C 1.550842 3.201041 0.983860
C 1.870213 -3.220325 -0.202991
C 1.729811 3.565766 -0.382642
C 4.263918 -2.813245 0.048954
C 4.002678 4.138787 -1.071983
H -4.623016 -2.304175 -0.558724
H -2.779031 2.349165 -0.556050
H -5.895170 -0.451041 -1.687081
H -4.953376 1.883447 -1.692404
H -0.755699 -1.391170 -1.505391
H 0.471023 1.966494 2.422779
H -0.651232 -3.798575 2.104941
H -0.697838 1.514956 -1.736658
H 5.186913 -3.303830 -0.291539
H 4.215047 -2.820418 1.152931
H 4.219277 -1.777242 -0.334397
H 4.002018 3.450881 -1.936995
H 4.468748 3.658181 -0.192791
H 4.537185 5.065320 -1.324805


