%chk=000180988.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180988

0 1
Br -4.041744 3.575835 0.911629
O -1.356317 2.400711 -0.342984
O -2.319736 2.082077 -2.368218
O -0.678747 -3.854562 0.852830
O 3.880587 0.837548 0.077783
C -3.240200 1.005171 -0.368810
C -4.167344 1.672146 0.647026
C -4.734528 1.145955 -0.645783
C -2.623556 -0.312706 -0.058290
C -2.303726 1.869249 -1.180706
C -2.941103 -1.445345 -0.814950
C -1.681120 -0.399954 0.987476
C -2.330850 -2.674537 -0.544893
C -1.065834 -1.608508 1.274893
C -1.391990 -2.739622 0.492045
C -0.334364 3.261610 -0.947940
C 0.902563 3.030789 -0.124556
C 1.745257 1.949416 -0.417076
C 1.216104 3.912732 0.919433
C -0.922267 -5.105655 0.127843
C 2.903731 1.793948 0.350070
C 2.384863 3.730582 1.668759
C 3.245158 2.668538 1.393999
C 0.059356 -6.066015 0.767869
C 3.513076 -0.452000 -0.311274
C 2.348578 -1.093301 0.121451
C 4.484787 -1.090610 -1.097797
C 2.164149 -2.430677 -0.242350
C 4.271200 -2.423712 -1.447779
C 3.116139 -3.093756 -1.023362
H -4.375147 1.171967 1.599037
H -5.371993 0.260644 -0.629618
H -5.066855 1.834146 -1.428039
H -3.661771 -1.372226 -1.631183
H -1.429089 0.499694 1.556597
H -2.584450 -3.543218 -1.142024
H -0.339285 -1.706675 2.079181
H -0.206709 2.996081 -2.016222
H -0.733606 4.289309 -0.871104
H 1.509950 1.253472 -1.220464
H 0.547631 4.739018 1.155172
H -0.719900 -4.934365 -0.943278
H -1.974726 -5.396107 0.286737
H 2.622790 4.422973 2.476884
H 4.161352 2.508366 1.958397
H 1.096572 -5.724122 0.642460
H -0.111345 -6.147804 1.851309
H -0.022755 -7.069809 0.335360
H 1.610941 -0.575188 0.730369
H 5.374260 -0.548881 -1.409688
H 1.268398 -2.961088 0.096176
H 5.009246 -2.945137 -2.056891
H 2.961270 -4.132895 -1.301704


%chk=000180988-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180988

0 1
Br -4.432440 3.509444 1.400886
O -1.218794 2.036942 -0.516752
O -2.952652 2.930061 -1.791574
O -0.797803 -3.971426 0.714714
O 4.083761 0.913786 0.192182
C -3.391869 1.074228 -0.223621
C -4.388950 1.607428 0.833426
C -4.904524 1.182267 -0.524910
C -2.757253 -0.271980 0.033319
C -2.539618 2.105127 -0.943987
C -3.008184 -1.355427 -0.838924
C -1.872688 -0.470320 1.126662
C -2.387293 -2.611282 -0.649922
C -1.248938 -1.711808 1.331700
C -1.496416 -2.785287 0.437148
C -0.269724 3.018841 -1.157468
C 1.001033 3.005283 -0.345847
C 1.911723 1.927870 -0.476526
C 1.288196 4.064710 0.549212
C -1.012781 -5.127188 -0.181903
C 3.087176 1.911238 0.305534
C 2.481253 4.047515 1.307640
C 3.384471 2.970799 1.193302
C -0.124316 -6.256278 0.332530
C 3.765378 -0.441100 -0.093646
C 2.574040 -1.069424 0.338701
C 4.776038 -1.170521 -0.758215
C 2.398196 -2.449769 0.089177
C 4.588576 -2.548963 -0.997355
C 3.400279 -3.192881 -0.577597
H -4.564868 0.971771 1.705008
H -5.501189 0.266497 -0.575339
H -5.180773 1.971555 -1.230165
H -3.690880 -1.218612 -1.685971
H -1.660710 0.362798 1.804977
H -2.598671 -3.426563 -1.347453
H -0.567800 -1.875944 2.172970
H -0.116731 2.684980 -2.199600
H -0.755800 4.009047 -1.170759
H 1.699799 1.112298 -1.175672
H 0.580999 4.895211 0.653488
H -0.744220 -4.842625 -1.220013
H -2.084218 -5.413343 -0.158229
H 2.705942 4.870542 1.994168
H 4.312550 2.932409 1.771242
H 0.937980 -5.956739 0.314644
H -0.391342 -6.521380 1.369524
H -0.245572 -7.153306 -0.301373
H 1.799692 -0.502451 0.864622
H 5.687757 -0.651297 -1.068523
H 1.478495 -2.942326 0.423933
H 5.371420 -3.117630 -1.511416
H 3.259163 -4.263271 -0.764149


