%chk=000245104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245104

0 1
Br -2.654991 2.542130 -1.483320
O 4.655769 2.891409 0.694261
O 2.724626 2.119045 0.111592
N 1.510317 -1.101656 0.179649
N 3.923949 1.993156 0.314083
C -2.927109 1.386839 0.092806
C -1.967937 0.219814 0.076025
C -2.697911 -1.009785 0.053465
C -4.283814 0.726931 0.053310
C -4.134011 -0.695527 0.039763
C -0.587133 0.233389 0.088205
C -2.028425 -2.225060 0.053609
C -5.538713 1.309475 0.039926
C -5.248660 -1.519535 0.020171
C 0.085590 -1.014165 0.084101
C -0.625234 -2.225318 0.074959
C -6.665736 0.465470 0.020405
C -6.522806 -0.921540 0.011320
C 2.286729 -0.324103 -0.500098
C 3.755827 -0.446888 -0.296689
C 4.534680 0.668118 0.074116
C 4.391376 -1.681541 -0.493443
C 5.925989 0.546356 0.240641
C 5.773597 -1.799290 -0.331370
C 6.541825 -0.685900 0.032266
H -2.789738 2.045356 0.978389
H -0.027912 1.170442 0.106851
H -2.576161 -3.165542 0.040938
H -5.657306 2.391652 0.033436
H -5.147428 -2.601894 0.010596
H -0.080652 -3.170107 0.088228
H -7.660798 0.908650 0.009200
H -7.407733 -1.556912 -0.004738
H 1.988206 0.454295 -1.228479
H 3.790533 -2.555074 -0.758788
H 6.512135 1.425030 0.536140
H 6.256974 -2.766492 -0.484913
H 7.620785 -0.783230 0.158092


%chk=000245104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245104

0 1
Br -2.702310 2.821649 -1.018753
O 5.190680 3.013454 -0.693016
O 3.142136 2.532524 0.172375
N 1.497757 -1.157741 0.079394
N 4.320215 2.178342 -0.231170
C -3.004126 1.303731 0.364499
C -2.022472 0.169123 0.154078
C -2.744178 -1.035251 -0.121812
C -4.359727 0.655558 0.184129
C -4.188284 -0.734388 -0.103201
C -0.626435 0.185066 0.226176
C -2.044900 -2.246168 -0.313282
C -5.641410 1.220662 0.280125
C -5.311876 -1.565692 -0.293704
C 0.086947 -1.036887 0.014709
C -0.637829 -2.240341 -0.229887
C -6.769287 0.383623 0.087918
C -6.603693 -0.994986 -0.197278
C 2.289723 -0.136147 -0.155674
C 3.755404 -0.308228 -0.042420
C 4.714732 0.747989 -0.135195
C 4.273994 -1.628139 0.104304
C 6.107680 0.501053 -0.110160
C 5.655274 -1.882182 0.154216
C 6.581049 -0.814422 0.039315
H -2.874956 1.857900 1.306897
H -0.091974 1.115264 0.449193
H -2.579059 -3.182022 -0.508076
H -5.768813 2.290057 0.479685
H -5.194485 -2.633187 -0.510027
H -0.059918 -3.160819 -0.358232
H -7.777753 0.805453 0.156293
H -7.487587 -1.625109 -0.345540
H 1.918176 0.851644 -0.467137
H 3.540835 -2.437429 0.169187
H 6.791336 1.349056 -0.198594
H 6.015652 -2.909264 0.274168
H 7.658180 -1.005746 0.071201


