%chk=000220565.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220565

0 1
Br -8.402000 0.384035 -0.309595
N 6.417478 -0.337138 -0.081973
N -1.540089 0.070496 -0.114003
N -2.406772 -0.520016 0.579469
C 5.021213 -0.089519 -0.106016
C 4.472762 0.868689 -0.996151
C 4.131926 -0.883223 0.659793
C 2.209858 0.219019 -0.357780
C 3.097101 1.009638 -1.117349
C 2.757391 -0.729068 0.527356
C 7.310529 0.756930 -0.550418
C 6.965310 -1.027839 1.116654
C 0.771994 0.408762 -0.515406
C -0.172532 -0.251923 0.188243
C -3.794475 -0.234655 0.297570
C -4.278757 0.257885 -0.928239
C -4.686697 -0.545600 1.342950
C -5.651345 0.440063 -1.109662
C -6.057482 -0.357547 1.161419
C -6.522583 0.131767 -0.062498
H 5.125980 1.492016 -1.602770
H 4.516543 -1.631443 1.349263
H 2.697471 1.749998 -1.812648
H 2.092457 -1.356532 1.124461
H 7.022390 1.060266 -1.572983
H 8.347477 0.386475 -0.608944
H 7.293394 1.647672 0.097349
H 8.026626 -1.274320 0.947228
H 6.436017 -1.985858 1.267750
H 6.887353 -0.434617 2.041503
H 0.470852 1.150962 -1.267769
H 0.052993 -1.000081 0.953500
H -3.581193 0.497311 -1.733657
H -4.301562 -0.931944 2.288794
H -6.029839 0.820348 -2.059795
H -6.751891 -0.594008 1.969255


%chk=000220565-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220565

0 1
Br -8.471356 0.409954 -0.472982
N 6.449595 -0.128377 0.112585
N -1.567135 0.082669 -0.082891
N -2.449464 -0.525135 0.698242
C 5.068146 -0.007009 -0.021142
C 4.486251 0.808414 -1.047870
C 4.171627 -0.695406 0.866278
C 2.196873 0.233404 -0.295333
C 3.095521 0.916616 -1.171342
C 2.785142 -0.574751 0.728244
C 7.345582 0.592631 -0.803336
C 7.019505 -0.968256 1.176604
C 0.765558 0.386944 -0.480687
C -0.245813 -0.194893 0.261943
C -3.808766 -0.253364 0.356404
C -4.236469 0.574863 -0.723284
C -4.782386 -0.879102 1.181478
C -5.608153 0.769625 -0.967571
C -6.159417 -0.689060 0.945099
C -6.555286 0.135154 -0.129667
H 5.124301 1.356031 -1.746506
H 4.568633 -1.326444 1.666188
H 2.679633 1.547314 -1.967192
H 2.140059 -1.117947 1.427805
H 7.183620 0.289762 -1.857065
H 8.391808 0.369244 -0.543700
H 7.203742 1.690018 -0.735783
H 8.118346 -0.941105 1.115203
H 6.698977 -2.024628 1.080008
H 6.725753 -0.610757 2.183966
H 0.436731 1.037621 -1.303311
H -0.061941 -0.868375 1.113792
H -3.477889 1.050989 -1.351587
H -4.435729 -1.511615 2.005062
H -5.941633 1.402884 -1.795161
H -6.906070 -1.170912 1.582411


