%chk=000287464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287464

0 1
Br 10.830592 1.457023 0.123911
S 5.089564 -1.436434 -0.081338
C -3.807047 0.318151 0.021626
C -5.129455 -0.458567 -0.035289
C -2.599074 -0.626329 -0.041596
C -6.337657 0.485629 0.028100
C -1.276662 0.150419 0.014870
C -7.660038 -0.291117 -0.029048
C -0.069310 -0.794834 -0.048127
C -8.868471 0.652836 0.033946
C 1.252763 -0.017847 0.008305
C -10.190522 -0.124032 -0.023237
C 2.458992 -0.968323 -0.054848
C -11.400360 0.818992 0.039905
C 3.765914 -0.185401 0.001785
C -12.719082 0.050935 -0.016728
C 6.605712 -0.553634 -0.019054
C 6.702093 0.834829 0.077923
C 7.755736 -1.355396 -0.074279
C 7.965700 1.438212 0.120808
C 9.015961 -0.756786 -0.031688
C 9.105685 0.636166 0.065558
H -3.765205 0.921649 0.948832
H -3.761469 1.044372 -0.812756
H -5.175721 -1.184917 0.798961
H -5.172085 -1.062045 -0.962476
H -2.645549 -1.352426 0.792938
H -2.642132 -1.230165 -0.968611
H -6.295724 1.088912 0.955411
H -6.291918 1.212062 -0.806052
H -1.231472 0.876226 -0.819983
H -1.235043 0.754239 0.941953
H -7.706424 -1.017386 0.805229
H -7.702396 -0.894686 -0.956163
H -0.113037 -1.399019 -0.975178
H -0.116584 -1.520970 0.786655
H -8.826500 1.256283 0.961130
H -8.822448 1.379034 -0.800376
H 1.298071 0.707029 -0.827517
H 1.294408 0.585198 0.936040
H -10.234233 -0.727847 -0.949924
H -10.238164 -0.850748 0.810347
H 2.406187 -1.573385 -0.984238
H 2.402613 -1.695275 0.782420
H -11.359102 1.422256 0.967872
H -11.355118 1.545409 -0.794975
H 3.849760 0.520918 -0.844689
H 3.845925 0.398433 0.937290
H -12.809140 -0.528657 -0.942463
H -13.576248 0.731884 0.028639
H -12.813341 -0.651334 0.819307
H 5.816887 1.466362 0.121524
H 7.677223 -2.441620 -0.150160
H 8.047355 2.523436 0.196600
H 9.915691 -1.372718 -0.074091


%chk=000287464-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287464

0 1
Br 10.889186 1.836675 0.225979
S 5.271077 -1.637381 -0.158393
C -3.824430 0.292150 0.000300
C -5.178632 -0.452130 -0.019841
C -2.605900 -0.657402 -0.036277
C -6.400341 0.493674 0.006695
C -1.249180 0.081910 -0.004295
C -7.752895 -0.253830 -0.006933
C -0.035998 -0.873644 -0.057452
C -8.976304 0.690130 0.013878
C 1.323670 -0.139935 -0.007064
C -10.328410 -0.058306 0.002951
C 2.525054 -1.112212 -0.087235
C -11.551898 0.886341 0.021223
C 3.871142 -0.371465 -0.009684
C -12.898511 0.130733 0.010502
C 6.775580 -0.599956 -0.043279
C 6.763176 0.804873 0.133710
C 8.020164 -1.276128 -0.139999
C 7.976615 1.527370 0.213678
C 9.234423 -0.562834 -0.060923
C 9.199610 0.836882 0.115925
H -3.768685 0.926219 0.910034
H -3.774827 0.986039 -0.864986
H -5.230195 -1.141153 0.849273
H -5.231086 -1.091968 -0.925762
H -2.661361 -1.357188 0.823868
H -2.659226 -1.285241 -0.950436
H -6.346720 1.136935 0.910125
H -6.352122 1.179350 -0.865251
H -1.197165 0.789540 -0.858118
H -1.190809 0.700115 0.916036
H -7.802388 -0.936750 0.867120
H -7.804723 -0.900293 -0.908186
H -0.089926 -1.481474 -0.984633
H -0.096464 -1.589895 0.788266
H -8.924048 1.338086 0.914093
H -8.928209 1.371588 -0.861454
H 1.379236 0.587409 -0.843437
H 1.385828 0.451870 0.929812
H -10.381756 -0.707477 -0.896312
H -10.378999 -0.738417 0.879184
H 2.470412 -1.685470 -1.033848
H 2.459222 -1.848580 0.737899
H -11.497525 1.534798 0.919668
H -11.500407 1.565234 -0.854593
H 3.971906 0.354193 -0.836163
H 3.978389 0.152107 0.956724
H -12.991232 -0.500669 -0.893454
H -13.756118 0.828480 0.024619
H -12.987574 -0.532330 0.891873
H 5.822972 1.357940 0.212358
H 8.046646 -2.362637 -0.277965
H 7.958179 2.612547 0.350272
H 10.187678 -1.093429 -0.137092


