%chk=000183410.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183410

0 1
Br 6.424038 0.035530 0.085970
O -3.248336 -2.395749 0.987036
O -2.976981 2.666531 -0.620888
N 0.306503 -0.023273 -0.009902
C -0.506846 -1.181019 0.107871
C -0.523879 1.112465 -0.140233
C -1.830341 -0.762801 0.034831
C -1.850143 0.670712 -0.093000
C 1.748021 -0.009562 0.012497
C 0.042537 -2.542634 0.242749
C 0.010235 2.479472 -0.264358
C -2.997015 -1.673410 0.046127
C -3.018302 1.565702 -0.100888
C 2.454624 0.254890 -1.172219
C 2.422135 -0.259464 1.219259
C -3.816418 -1.697035 -1.213758
C -4.257517 1.092658 0.603172
C 3.851062 0.269719 -1.146696
C 3.818599 -0.246805 1.237877
C 4.517342 0.017748 0.056213
H -0.696945 -3.215597 0.716338
H 0.946698 -2.582101 0.867557
H 0.301986 -2.977537 -0.735003
H -0.809716 3.191106 -0.507637
H 0.755519 2.576197 -1.066133
H 0.475539 2.831206 0.668596
H 1.919032 0.442677 -2.104355
H 1.860558 -0.455441 2.134776
H -3.396597 -2.426967 -1.922111
H -4.850944 -2.009483 -1.015767
H -3.834744 -0.730937 -1.733806
H -4.845620 1.947597 0.969865
H -4.916373 0.532359 -0.073241
H -4.038706 0.445153 1.463618
H 4.409823 0.474908 -2.062890
H 4.352069 -0.439615 2.171733


%chk=000183410-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183410

0 1
Br 6.500842 0.174927 0.260214
O -2.815840 -2.986472 0.515943
O -2.965910 2.628786 -0.873400
N 0.303141 -0.064450 -0.052368
C -0.467007 -1.230925 0.127811
C -0.531167 1.045344 -0.295949
C -1.821666 -0.861699 -0.012241
C -1.863016 0.581257 -0.259853
C 1.743011 -0.011173 0.017302
C 0.162813 -2.579855 0.307614
C 0.014039 2.435631 -0.432365
C -2.904087 -1.870559 -0.091824
C -3.017315 1.511024 -0.265088
C 2.495002 0.341426 -1.127568
C 2.400848 -0.310116 1.233220
C -4.099590 -1.621876 -1.015518
C -4.253599 1.179885 0.574808
C 3.903915 0.402133 -1.059797
C 3.809578 -0.261674 1.308444
C 4.545624 0.097348 0.159383
H -0.573122 -3.360473 0.061399
H 0.457413 -2.757686 1.359388
H 1.065873 -2.696827 -0.318306
H -0.798274 3.161548 -0.275230
H 0.402269 2.624737 -1.451307
H 0.837412 2.625215 0.279852
H 1.982989 0.557559 -2.070406
H 1.814301 -0.568779 2.120272
H -4.120010 -2.437771 -1.761212
H -5.041827 -1.689903 -0.443203
H -4.056115 -0.659592 -1.546725
H -4.375848 1.986923 1.320563
H -5.157785 1.192510 -0.059394
H -4.184305 0.218577 1.104820
H 4.487875 0.673620 -1.943506
H 4.320438 -0.491421 2.247428


