%chk=000222770.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222770

0 1
Br 2.505847 0.273268 -2.349734
S -2.240105 1.794520 0.254834
O -3.220281 2.462010 1.090168
O -1.668148 2.454627 -0.895636
N -0.963265 1.489155 1.393837
N -4.153470 -3.582515 -1.216478
C 4.280428 -0.739430 0.299971
C 2.898265 -0.117104 0.538996
C 5.047164 -0.947156 1.628610
C 5.149233 0.176189 -0.586594
C 4.087193 -2.125561 -0.346457
C 2.056347 0.358899 -0.473051
C 2.393744 -0.012990 1.853397
C 0.322694 0.992923 1.092049
C 0.804898 0.927167 -0.227097
C 1.145033 0.522373 2.141688
C -2.791984 0.243065 -0.179999
C -3.849770 -0.349589 0.530107
C -2.211775 -0.447968 -1.257341
C -4.322360 -1.607493 0.190408
C -2.660860 -1.707872 -1.621193
C -3.723073 -2.305288 -0.892279
H 4.514463 -1.613790 2.313934
H 5.226405 0.003958 2.140908
H 6.025750 -1.403759 1.442363
H 4.810440 1.217607 -0.554033
H 6.197624 0.175735 -0.269775
H 5.154609 -0.138263 -1.635270
H 3.591729 -2.067958 -1.320477
H 3.476162 -2.776259 0.287268
H 5.049235 -2.622661 -0.506612
H 2.993731 -0.372480 2.693469
H 0.227097 1.367661 -1.050087
H 0.803524 0.573818 3.172291
H -1.122380 1.738161 2.378995
H -4.316101 0.195944 1.361017
H -1.394904 0.016313 -1.826194
H -5.139504 -2.054907 0.748031
H -2.199035 -2.233267 -2.452366
H -4.975263 -3.972704 -0.790773
H -3.819837 -4.043079 -2.044696


%chk=000222770-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222770

0 1
Br 2.960839 1.220537 -2.375925
S -2.367570 2.029162 -0.084362
O -3.576158 2.731423 0.747162
O -1.866495 2.535666 -1.541815
N -0.844185 2.294378 1.099052
N -3.514009 -3.908716 -0.485963
C 4.040363 -0.853723 0.202211
C 2.743131 -0.014357 0.378903
C 4.348075 -1.713686 1.461598
C 5.270443 0.082017 -0.009700
C 3.890383 -1.848868 -0.990061
C 2.176488 0.879913 -0.582269
C 2.007033 -0.102324 1.597676
C 0.302744 1.494762 0.872146
C 1.009812 1.631964 -0.353013
C 0.812468 0.597228 1.844939
C -2.717801 0.197789 -0.212016
C -3.623416 -0.376752 0.700835
C -2.072993 -0.549162 -1.217227
C -3.891778 -1.752027 0.604344
C -2.341579 -1.924945 -1.305739
C -3.250074 -2.548664 -0.395211
H 3.546205 -2.444331 1.676221
H 4.515144 -1.092510 2.360836
H 5.275672 -2.285400 1.279101
H 5.398874 0.754978 0.858041
H 6.186605 -0.530336 -0.108016
H 5.179179 0.702054 -0.914696
H 3.731914 -1.336598 -1.951510
H 3.039155 -2.533489 -0.817598
H 4.809427 -2.458376 -1.077457
H 2.376710 -0.765387 2.382208
H 0.636153 2.334510 -1.102817
H 0.285482 0.458824 2.796959
H -1.254629 2.220412 2.046433
H -4.129112 0.248982 1.443746
H -1.398510 -0.057132 -1.925037
H -4.604951 -2.216676 1.294874
H -1.854750 -2.522607 -2.084644
H -4.170903 -4.357593 0.146201
H -3.073886 -4.479642 -1.202213


