%chk=000250067.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250067

0 1
Br 3.656513 0.546444 -0.950507
O 5.654016 -1.679442 0.263958
N -0.181574 -0.480771 0.829463
N 1.062457 -0.290117 0.267256
N 4.116556 -2.792609 1.515872
N 2.888079 -3.014156 1.998880
C -2.501905 -0.104973 1.188989
C -1.292347 1.312016 -0.579551
C -1.213384 0.231964 0.470416
C -3.562449 -0.564656 0.223778
C -0.242035 2.380061 -0.443940
C -4.720756 0.199775 0.025969
C 0.547712 2.730596 -1.549560
C -3.393441 -1.770097 -0.475289
C -0.051709 3.034115 0.782832
C -5.703942 -0.242133 -0.864957
C 1.524668 3.722328 -1.423681
C -4.378305 -2.204692 -1.364721
C 0.927678 4.023135 0.902353
C -5.535023 -1.442100 -1.561624
C 1.718802 4.367655 -0.198725
C 2.091634 -1.111623 0.703936
C 3.371332 -0.891403 0.220446
C 1.896426 -2.226503 1.628582
C 4.489082 -1.724287 0.589796
H -2.334548 -0.898157 1.957480
H -2.831843 0.783957 1.768972
H -2.296989 1.797552 -0.562093
H -1.251298 0.827298 -1.583022
H -4.863298 1.133232 0.566143
H 0.401717 2.237475 -2.509167
H -2.493855 -2.365651 -0.321317
H -0.663188 2.768311 1.643347
H -6.604641 0.351767 -1.014664
H 2.136812 3.991827 -2.283900
H -4.245769 -3.141249 -1.905262
H 1.077275 4.525491 1.857770
H 1.256001 0.514771 -0.354316
H -6.301783 -1.784035 -2.254175
H 2.484948 5.135261 -0.101152
H 0.897038 -2.426617 2.039390
H 4.844239 -3.444362 1.844596


%chk=000250067-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250067

0 1
Br 3.783897 0.314820 -1.154734
O 5.680599 -1.926810 0.133473
N -0.193664 -0.518610 0.926820
N 1.052536 -0.364262 0.324229
N 4.076447 -2.904811 1.523738
N 2.842265 -3.074075 2.090671
C -2.529295 0.006482 1.188439
C -1.118072 1.232519 -0.648864
C -1.193000 0.229982 0.500174
C -3.602098 -0.522874 0.232310
C -0.137904 2.396989 -0.457447
C -4.802244 0.195398 0.006104
C 0.583595 2.906461 -1.567490
C -3.405071 -1.754653 -0.444758
C 0.033553 3.015667 0.808307
C -5.788905 -0.305653 -0.875259
C 1.450507 4.013050 -1.420293
C -4.388063 -2.257952 -1.324299
C 0.901642 4.119316 0.958147
C -5.584265 -1.534015 -1.543642
C 1.611716 4.624192 -0.156143
C 2.102110 -1.187689 0.702677
C 3.387616 -1.060165 0.158394
C 1.885034 -2.237082 1.686867
C 4.484595 -1.937085 0.546204
H -2.366183 -0.704780 2.018365
H -2.878432 0.960524 1.631638
H -2.136105 1.632276 -0.813925
H -0.858554 0.692248 -1.583848
H -4.970179 1.146764 0.526721
H 0.462870 2.439319 -2.553242
H -2.479103 -2.318336 -0.276776
H -0.505265 2.626342 1.680801
H -6.713367 0.259944 -1.037692
H 2.000468 4.393318 -2.288281
H -4.224456 -3.212683 -1.836880
H 1.027393 4.583164 1.942898
H 1.248745 0.410461 -0.327054
H -6.347585 -1.924196 -2.225966
H 2.287343 5.478277 -0.038273
H 0.898631 -2.360917 2.132924
H 4.799151 -3.555466 1.843570


