%chk=000211556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211556

0 1
Br -0.938450 6.296161 -2.146539
O 6.921451 -1.366301 0.435069
O 0.039701 -2.489726 -0.615249
N 4.113761 -1.154482 -0.025649
N 0.498179 -0.255579 -0.572874
N 0.163666 1.033040 -0.412376
C 2.668932 -1.067202 0.352336
C 4.892710 0.001403 0.527621
C 4.722774 -2.449226 0.421599
C 1.942421 -0.504129 -0.888758
C 6.343420 -0.108213 0.031252
C 6.179250 -2.496076 -0.068362
C -0.409925 -1.374096 -0.437718
C -1.795629 -0.990261 -0.103810
C -1.100541 1.339022 -0.124174
C -2.120705 0.325784 0.033710
C -2.787382 -2.067920 0.069360
C -1.440329 2.771717 0.032402
C -2.793787 -3.178009 -0.792154
C -3.740746 -1.983820 1.099500
C -1.076907 3.693462 -0.962520
C -2.130940 3.203029 1.176793
C -3.755135 -4.178976 -0.635623
C -4.696838 -2.990648 1.251411
C -1.423554 5.034642 -0.793972
C -2.464872 4.551618 1.321580
C -4.709376 -4.086572 0.382569
C -2.115308 5.479808 0.334278
H 2.478513 -0.429391 1.240566
H 2.248116 -2.070425 0.594123
H 4.878912 0.041448 1.638314
H 4.435334 0.943487 0.157174
H 4.145677 -3.283033 -0.034427
H 4.691968 -2.585613 1.523822
H 1.992338 -1.238755 -1.727244
H 2.421782 0.437203 -1.240482
H 6.408442 -0.018802 -1.067496
H 7.008383 0.626198 0.517916
H 6.734220 -3.351907 0.353533
H 6.239660 -2.502893 -1.171065
H -3.142802 0.645631 0.250367
H -2.034674 -3.266445 -1.572633
H -3.730104 -1.142178 1.789021
H -0.527124 3.357914 -1.844950
H -2.396850 2.489912 1.956168
H -3.756359 -5.036443 -1.307617
H -5.432736 -2.922450 2.051074
H -2.999570 4.886526 2.210775
H -5.457011 -4.868739 0.501994
H -2.379553 6.531504 0.451466


%chk=000211556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211556

0 1
Br 0.647079 6.388671 -0.372514
O 7.008367 -1.148708 0.189466
O 0.045793 -2.620460 -0.678327
N 4.118537 -1.158634 -0.074069
N 0.451875 -0.324243 -0.606698
N 0.138939 0.990262 -0.396367
C 2.696376 -0.994602 0.284621
C 4.884515 0.113870 -0.059490
C 4.821321 -2.201358 0.716675
C 1.869009 -0.579204 -0.959245
C 6.305850 -0.122056 -0.597761
C 6.239703 -2.405357 0.159368
C -0.421676 -1.454930 -0.471323
C -1.805413 -1.107575 -0.087580
C -1.135862 1.278957 -0.047592
C -2.116125 0.239900 0.094879
C -2.825279 -2.171295 0.097405
C -1.445397 2.722116 0.159704
C -2.760300 -3.404897 -0.612519
C -3.920469 -1.961812 0.986560
C -0.454961 3.699254 -0.142533
C -2.702914 3.158356 0.656773
C -3.773139 -4.374935 -0.457892
C -4.925840 -2.935779 1.143861
C -0.738480 5.059346 0.052096
C -2.965060 4.532390 0.841558
C -4.860743 -4.147505 0.415668
C -1.985448 5.505012 0.540611
H 2.545539 -0.237790 1.092821
H 2.303717 -1.960310 0.649153
H 4.948787 0.533709 0.976039
H 4.375188 0.862128 -0.695391
H 4.257272 -3.149554 0.641312
H 4.893147 -1.923256 1.797940
H 1.905279 -1.395879 -1.695949
H 2.255676 0.351413 -1.401504
H 6.251871 -0.437578 -1.662082
H 6.920852 0.788788 -0.509820
H 6.812910 -3.116488 0.776743
H 6.176246 -2.779899 -0.885074
H -3.149122 0.515153 0.321105
H -1.910591 -3.597302 -1.270731
H -3.967789 -1.047717 1.589626
H 0.514010 3.367548 -0.522320
H -3.485584 2.437933 0.912533
H -3.708018 -5.314152 -1.017994
H -5.751326 -2.757952 1.841898
H -3.938631 4.854567 1.225612
H -5.640726 -4.907155 0.538103
H -2.186563 6.570206 0.682748


