%chk=000222121.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222121

0 1
Br -5.271018 2.773553 1.400637
O -1.592307 -2.708322 -0.590272
N 1.070689 -0.252905 -0.721276
C 1.231701 1.128044 -1.288837
C 2.342359 -1.040726 -0.840506
C -0.090086 -0.964709 -1.338967
C 2.035556 1.991018 -0.300462
C 2.298989 -2.259717 0.095201
C -1.011049 -1.458096 -0.191640
C 2.125353 3.442812 -0.783792
C 3.641375 -3.001358 0.091474
C 2.931135 4.308657 0.195272
C 3.601601 -4.229380 1.012339
C -2.067442 -0.441896 0.189291
C 3.021626 5.758114 -0.276108
C 4.933807 -4.975547 1.016968
C -1.662744 0.788862 0.729882
C -3.432588 -0.716980 0.038862
C -2.610703 1.748017 1.092369
C -4.391460 0.235793 0.398560
C -3.966297 1.459831 0.915701
H 1.719128 1.130678 -2.286788
H 0.222196 1.575663 -1.428107
H 2.552570 -1.362777 -1.882714
H 3.185418 -0.377390 -0.538278
H 0.220109 -1.850537 -1.937989
H -0.661076 -0.314867 -2.033035
H 1.564191 1.945044 0.701617
H 3.050629 1.567874 -0.164333
H 2.046824 -1.928710 1.122491
H 1.484742 -2.948677 -0.204688
H -0.419125 -1.759160 0.709909
H 2.590883 3.482605 -1.787356
H 1.109714 3.866524 -0.906639
H 3.900026 -3.315572 -0.937893
H 4.453267 -2.320827 0.412611
H 2.467137 4.271024 1.200586
H 3.949752 3.891036 0.317474
H 3.343484 -3.918084 2.043681
H 2.790627 -4.913348 0.692782
H 3.511771 5.836298 -1.253122
H 2.030029 6.215607 -0.369669
H 3.597709 6.368115 0.428971
H 5.200504 -5.332856 0.015951
H 5.753289 -4.337694 1.366868
H 4.894557 -5.849673 1.676835
H -2.147044 -2.608519 -1.388323
H -0.597075 0.994306 0.870126
H -3.755191 -1.687330 -0.341087
H -2.290928 2.703395 1.509521
H -5.452516 0.015385 0.278300


%chk=000222121-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222121

0 1
Br -4.974808 2.479628 2.307646
O -1.847668 -2.565988 -1.427147
N 1.065080 -0.199247 -0.806336
C 1.283421 1.181053 -1.330309
C 2.324529 -0.984776 -0.705630
C -0.015100 -0.929890 -1.520020
C 2.047961 2.109993 -0.363420
C 2.198518 -2.280279 0.121760
C -1.099756 -1.589178 -0.608155
C 2.146999 3.554918 -0.904722
C 3.560418 -2.989633 0.298017
C 2.928336 4.501480 0.035030
C 3.457337 -4.301946 1.108940
C -2.036569 -0.599177 0.093156
C 3.029834 5.941681 -0.512133
C 4.818273 -5.009907 1.282007
C -1.515343 0.487657 0.844295
C -3.442011 -0.769322 0.033340
C -2.374372 1.398012 1.498022
C -4.316635 0.135600 0.679609
C -3.768828 1.213119 1.401313
H 1.814989 1.166103 -2.316980
H 0.286256 1.625564 -1.510801
H 2.715440 -1.241419 -1.725596
H 3.085372 -0.344595 -0.223429
H 0.401464 -1.754909 -2.139820
H -0.534702 -0.237349 -2.213346
H 1.530203 2.109856 0.616698
H 3.071842 1.728360 -0.181067
H 1.774688 -2.029417 1.114793
H 1.492564 -2.982250 -0.365517
H -0.597995 -2.220518 0.144098
H 2.638677 3.544156 -1.900391
H 1.126532 3.961339 -1.065439
H 3.995247 -3.211149 -0.699472
H 4.272657 -2.303767 0.803268
H 2.436607 4.515791 1.029010
H 3.947023 4.093824 0.198000
H 3.023840 -4.080911 2.105409
H 2.744393 -4.985751 0.604833
H 3.547228 5.958552 -1.490070
H 2.025499 6.382502 -0.657040
H 3.590427 6.598538 0.177980
H 5.258732 -5.267287 0.300059
H 5.539463 -4.359505 1.812285
H 4.717077 -5.945215 1.862431
H -2.270024 -2.082626 -2.184487
H -0.428885 0.606791 0.908625
H -3.856911 -1.631339 -0.498628
H -1.963223 2.232069 2.074565
H -5.399996 -0.006639 0.627164


