%chk=000265308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265308

0 1
Br 3.769191 -3.583711 0.005240
O 2.388998 2.508187 -0.935365
N 4.290125 -0.768552 0.531709
N 4.297832 1.567527 -0.092960
N 6.211569 0.610906 0.953576
C -0.138960 0.205271 0.327040
C -1.590260 0.077772 -0.149459
C 0.842862 0.106338 -0.851516
C -2.578308 0.215584 1.019649
C 2.265036 0.179752 -0.387266
C 2.939965 -0.885801 0.121176
C -3.996199 0.067271 0.537509
C 2.927075 1.515160 -0.504489
C 2.360400 -2.254449 0.271952
C -4.685062 1.176174 0.021208
C -4.636901 -1.179923 0.592799
C 4.903956 0.512925 0.415926
C -5.999755 1.037186 -0.430105
C -5.952532 -1.313306 0.140371
C -6.637012 -0.206652 -0.371248
H 0.085354 -0.569678 1.082109
H 0.007395 1.178358 0.840241
H -1.808880 0.852725 -0.911995
H -1.746651 -0.893483 -0.657167
H 0.665595 -0.819941 -1.433678
H 0.647414 0.944979 -1.562842
H -2.351780 -0.536578 1.801274
H -2.442134 1.199058 1.515478
H 4.751539 -1.518372 1.051534
H 1.559319 -2.448788 -0.473816
H 1.921322 -2.412854 1.277132
H -4.193737 2.145994 -0.029174
H -4.110538 -2.045609 0.987698
H -6.529606 1.900738 -0.828981
H -6.445416 -2.282795 0.186974
H -7.660826 -0.312149 -0.722156
H 6.632422 1.536226 0.837727
H 6.859386 -0.127287 0.703395


%chk=000265308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265308

0 1
Br 3.914491 -3.685411 -0.874715
O 2.058487 2.418204 -0.638177
N 4.444692 -0.687256 0.484208
N 4.144843 1.662658 0.107903
N 6.215219 0.849345 0.822201
C -0.160967 0.105880 0.363491
C -1.621820 0.001685 -0.123050
C 0.860206 -0.144220 -0.783107
C -2.647669 0.270668 1.013265
C 2.292348 0.036309 -0.335389
C 3.124631 -0.985442 0.084379
C -4.088922 0.158820 0.537422
C 2.808675 1.450169 -0.302622
C 2.716128 -2.411079 0.235100
C -4.724539 1.249970 -0.111227
C -4.817750 -1.048455 0.692999
C 4.902787 0.628721 0.457861
C -6.048394 1.138666 -0.592091
C -6.142424 -1.166083 0.213363
C -6.762990 -0.071707 -0.432098
H 0.012613 -0.621404 1.184358
H 0.022339 1.114798 0.779743
H -1.789932 0.728154 -0.942699
H -1.810638 -1.004077 -0.551286
H 0.688848 -1.144104 -1.226212
H 0.669016 0.606899 -1.571645
H -2.463937 -0.447580 1.836779
H -2.457663 1.282823 1.421880
H 5.084105 -1.469675 0.644335
H 1.699493 -2.599513 -0.124429
H 2.850217 -2.795426 1.258145
H -4.178242 2.193912 -0.233857
H -4.344360 -1.899959 1.198456
H -6.523616 1.993917 -1.086284
H -6.690689 -2.105974 0.346519
H -7.790978 -0.158981 -0.801648
H 6.534954 1.814497 0.783291
H 6.843635 0.118456 1.144338


