%chk=000231777.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231777

0 1
Br 1.222564 -5.445639 -0.877913
O -1.500910 0.555809 2.263852
C 0.912258 0.547403 0.755341
C -0.353840 1.301918 0.304747
C 0.953571 -0.906668 0.326197
C 2.137121 1.285091 0.248239
C -1.572071 0.861346 1.093944
C 1.827329 -1.773592 1.007523
C 0.166959 -1.410239 -0.718485
C 2.540552 1.176748 -1.090752
C 2.865178 2.100021 1.127660
C -2.870221 0.821676 0.349014
C 1.911809 -3.121259 0.654418
C 0.241651 -2.759784 -1.079764
C 3.662141 1.876234 -1.543451
C 3.986124 2.798348 0.669975
C 1.114215 -3.599830 -0.388539
C 4.386597 2.688700 -0.665209
C -3.215448 1.813239 -0.579443
C -3.759905 -0.228987 0.616498
C -4.441769 1.745658 -1.245489
C -4.981440 -0.298547 -0.059298
C -5.322129 0.687947 -0.989808
H 0.909420 0.559661 1.885449
H -0.505441 1.188189 -0.786612
H -0.208075 2.392850 0.468340
H 2.448858 -1.392209 1.818405
H -0.516004 -0.755691 -1.260493
H 1.985251 0.538237 -1.776529
H 2.560868 2.191646 2.169179
H 2.591711 -3.785904 1.189151
H -0.378011 -3.141422 -1.892020
H 3.973926 1.785696 -2.582901
H 4.549051 3.428472 1.356948
H 5.260384 3.231779 -1.019397
H -2.538864 2.643607 -0.777556
H -3.493745 -0.985441 1.358810
H -4.713702 2.517951 -1.963352
H -5.669073 -1.118276 0.144959
H -6.275995 0.635859 -1.514140


%chk=000231777-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231777

0 1
Br 1.879956 -5.719629 -0.962807
O -1.568554 -0.169406 1.943456
C 0.916209 0.330144 0.662433
C -0.392072 0.982260 0.146988
C 1.102122 -1.133610 0.234841
C 2.110867 1.212869 0.268111
C -1.655522 0.469683 0.854040
C 2.216344 -1.848225 0.748744
C 0.225221 -1.816639 -0.640799
C 2.716290 1.109596 -1.010452
C 2.590753 2.197453 1.169021
C -2.999535 0.781548 0.256267
C 2.455567 -3.195024 0.407139
C 0.445244 -3.167768 -1.000896
C 3.772252 1.971646 -1.380388
C 3.648251 3.060901 0.803231
C 1.561263 -3.841038 -0.472099
C 4.241913 2.952242 -0.475380
C -3.157299 1.613363 -0.885904
C -4.155109 0.228836 0.874551
C -4.444432 1.885731 -1.396936
C -5.438304 0.495083 0.359487
C -5.586461 1.325283 -0.778640
H 0.843499 0.328657 1.768745
H -0.479742 0.875643 -0.950328
H -0.338701 2.074803 0.334327
H 2.913746 -1.340440 1.425430
H -0.657049 -1.315988 -1.052641
H 2.370624 0.339692 -1.710697
H 2.136987 2.282987 2.164867
H 3.318259 -3.728510 0.816224
H -0.246295 -3.680430 -1.675693
H 4.232288 1.876130 -2.370613
H 4.011246 3.811589 1.514488
H 5.064202 3.618039 -0.760394
H -2.284099 2.059706 -1.373150
H -4.013684 -0.404010 1.757047
H -4.558641 2.532047 -2.273915
H -6.322137 0.061062 0.839373
H -6.584570 1.534323 -1.179581


