%chk=000198791.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198791

0 1
Br 5.502871 -1.962264 1.034364
O 0.230150 3.437912 0.122135
O -0.794632 -2.876515 -0.787362
O 0.054432 -1.163282 -1.793396
N -1.613728 0.619212 -0.348434
N 2.104346 0.267961 -0.052985
N -2.731659 -1.222576 0.422920
N -0.740746 -1.692223 -1.013792
C 0.413320 2.025553 0.015069
C -0.618124 1.476938 -1.006941
C 1.873549 1.705506 -0.368014
C 3.548785 -0.037738 0.190650
C -1.668203 -0.793409 -0.328861
C -2.665058 1.063929 0.431483
C -3.346146 -0.089391 0.891525
C 3.635810 -1.495369 0.637155
H 0.193867 1.676075 1.056554
H -0.117362 0.898031 -1.827466
H -1.141205 2.330781 -1.501948
H 2.085541 1.973201 -1.423478
H 2.538926 2.347482 0.257146
H 1.748416 -0.317134 -0.826050
H 3.924510 0.632869 0.998778
H 4.192387 0.140824 -0.699505
H -2.873695 2.104492 0.621467
H 0.574127 3.917062 -0.657152
H -4.223788 -0.130703 1.519546
H 3.046755 -1.676429 1.556036
H 3.283152 -2.199495 -0.137047


%chk=000198791-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198791

0 1
Br 6.360530 -1.448946 0.159964
O -0.088331 2.852032 0.886569
O -1.798168 -3.039873 -0.466022
O -0.020104 -1.625008 -0.711784
N -1.777951 0.612409 -0.516536
N 2.431292 0.216843 0.023966
N -3.456452 -0.836040 0.059202
N -1.294407 -1.863308 -0.510955
C 0.383699 1.566523 0.343363
C -0.465736 1.178856 -0.898557
C 1.893260 1.582186 0.015537
C 3.850159 0.026194 -0.308513
C -2.166228 -0.726118 -0.326382
C -2.899945 1.372504 -0.213432
C -3.920404 0.467102 0.135195
C 4.395865 -1.102015 0.580766
H 0.211429 0.845454 1.159130
H 0.061091 0.436144 -1.513318
H -0.651012 2.081357 -1.508598
H 2.051644 2.118015 -0.959702
H 2.400136 2.180743 0.797839
H 1.797793 -0.510058 -0.326300
H 4.399529 0.959272 -0.087641
H 4.035462 -0.213819 -1.378975
H -2.875467 2.458122 -0.249643
H 0.249919 3.588907 0.313868
H -4.941332 0.686214 0.436898
H 4.356576 -0.837603 1.647001
H 3.893753 -2.064790 0.399455


