%chk=000220361.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220361

0 1
Br 1.053121 -1.066568 -2.737093
O 2.855590 -1.641475 1.308750
O -0.823104 -2.671204 -0.446803
O 4.878388 -1.037100 0.522850
C 0.470005 1.349649 -0.256573
C 1.382424 0.108382 0.008010
C 2.913652 0.386499 -0.000533
C 0.875382 2.442031 0.771580
C 3.227564 1.558662 0.967274
C 2.363290 2.785885 0.678449
C 0.961371 -1.133991 -0.769834
C -0.990923 0.942843 -0.023387
C 0.522576 1.931856 -1.676321
C 3.532294 0.624412 -1.376628
C -1.419293 -0.392066 -0.136870
C -0.488527 -1.507217 -0.452045
C 3.696246 -0.808906 0.596943
C -1.951786 1.926585 0.258216
C -2.771360 -0.724659 0.047870
C -3.720529 0.260220 0.339441
C -3.294648 1.593305 0.440029
C -5.181994 -0.091838 0.539947
C 3.455242 -2.793335 1.960404
C -5.346870 -1.037177 1.736341
C -5.766181 -0.703132 -0.739511
H 1.164169 -0.167873 1.092825
H 0.627693 2.101438 1.795871
H 0.273263 3.357328 0.610163
H 4.301464 1.824827 0.895592
H 3.068832 1.234322 2.016003
H 2.601210 3.192962 -0.324131
H 2.608742 3.591961 1.397513
H 1.625376 -1.998804 -0.499896
H 1.533911 1.874637 -2.108387
H -0.154976 1.411378 -2.365377
H 0.223142 2.985590 -1.688494
H 3.642378 -0.301470 -1.956493
H 2.921211 1.316115 -1.980113
H 4.539938 1.054109 -1.296434
H -1.651993 2.972547 0.330455
H -3.072258 -1.774020 -0.042782
H -4.016481 2.380452 0.659611
H -5.753269 0.846938 0.763398
H 2.593625 -3.442850 2.148657
H 3.927891 -2.457804 2.887625
H 4.189357 -3.267998 1.299699
H -4.861107 -2.004697 1.563903
H -6.404494 -1.237260 1.939326
H -4.907766 -0.610106 2.644892
H -5.624484 -0.038304 -1.599164
H -6.840582 -0.888516 -0.634872
H -5.294325 -1.660763 -0.988796


%chk=000220361-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220361

0 1
Br 0.916371 -1.221253 -2.859503
O 2.996240 -1.483526 1.540356
O -0.840594 -2.749540 -0.273182
O 4.746012 -1.395346 0.021400
C 0.475795 1.372601 -0.284906
C 1.398254 0.111055 -0.082658
C 2.960377 0.354304 -0.076286
C 0.902410 2.417926 0.803740
C 3.262114 1.467869 0.993973
C 2.412656 2.736176 0.774372
C 0.926546 -1.169647 -0.789736
C -0.997150 0.951001 -0.057855
C 0.524729 2.051683 -1.690813
C 3.627182 0.724033 -1.426233
C -1.440485 -0.407223 -0.120796
C -0.503964 -1.535062 -0.389879
C 3.670558 -0.919736 0.446923
C -1.985588 1.936840 0.187551
C -2.808741 -0.736321 0.074648
C -3.784105 0.250719 0.318745
C -3.342017 1.599053 0.369973
C -5.259732 -0.106297 0.508493
C 3.634755 -2.677809 2.147000
C -5.470770 -1.039935 1.730129
C -5.857234 -0.737938 -0.777887
H 1.200482 -0.174773 0.978766
H 0.633443 2.023606 1.805277
H 0.332543 3.355083 0.663663
H 4.340461 1.714263 0.956753
H 3.047640 1.065194 2.003353
H 2.684488 3.224729 -0.180352
H 2.646213 3.466197 1.573226
H 1.581940 -2.026617 -0.571793
H 1.538818 2.378220 -1.964057
H 0.161733 1.379425 -2.482449
H -0.126456 2.945020 -1.680076
H 3.322940 0.045232 -2.237581
H 3.385022 1.754156 -1.728781
H 4.722228 0.646033 -1.319753
H -1.698813 2.992282 0.240316
H -3.075507 -1.797867 0.018042
H -4.074022 2.395244 0.555535
H -5.808744 0.836700 0.707159
H 2.948680 -2.985678 2.948147
H 4.627877 -2.414678 2.547821
H 3.748202 -3.473666 1.392223
H -4.953537 -2.006324 1.585644
H -6.546630 -1.251444 1.873163
H -5.080663 -0.582698 2.657288
H -5.747145 -0.062693 -1.645426
H -6.932778 -0.953751 -0.639381
H -5.349636 -1.689020 -1.023194


