%chk=000270977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270977

0 1
Br -1.306198 3.404630 -0.660855
Br 0.181189 -1.805932 -0.275224
S -5.345506 -0.440068 0.072790
O -6.172000 0.581166 -0.537759
O -5.527314 -1.841692 -0.247387
N -5.627990 -0.312005 1.764939
N 0.368962 1.003443 -0.269927
N 1.149495 0.135598 -0.779035
N 4.371153 -1.453133 -0.021693
N 4.694242 0.961434 0.356707
N 2.241387 -2.385766 -0.606582
N 2.942607 2.480287 0.077213
N 6.480989 -0.561242 0.570408
C -3.682076 -0.019855 -0.105579
C -2.709991 -1.040012 -0.058053
C -3.330633 1.321060 -0.300929
C -1.010747 0.653136 -0.373069
C -1.982682 1.656325 -0.427525
C -1.378486 -0.706683 -0.208635
C 2.514225 0.093416 -0.374833
C 3.081169 -1.206377 -0.349896
C 3.367283 1.182855 0.030304
C 5.152306 -0.335763 0.301342
H -3.013407 -2.085329 0.073881
H -4.101753 2.099556 -0.362667
H -6.244893 0.426290 2.095254
H -5.817512 -1.163982 2.287185
H 2.615091 -3.208474 -0.104705
H 2.276817 -2.613718 -1.616627
H 3.569197 3.208489 0.390528
H 1.959474 2.715264 -0.030648
H 7.068005 0.195461 0.888286
H 6.833194 -1.504276 0.630390


%chk=000270977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270977

0 1
Br -0.931244 3.196269 -0.425714
Br -0.615889 -2.656772 0.544986
S -5.573482 -0.082884 -0.227717
O -6.124411 1.214089 -1.043234
O -5.913660 -1.623907 -0.628358
N -6.112339 0.135351 1.514884
N 0.495506 0.551371 0.108305
N 1.319380 -0.424593 -0.275639
N 4.883867 -1.254223 -0.458559
N 4.709699 1.017884 0.497244
N 2.958829 -2.456451 -1.036506
N 2.611064 2.022995 0.804689
N 6.763279 -0.023621 0.150419
C -3.705273 0.070011 -0.127999
C -2.956234 -1.094794 0.081944
C -3.135048 1.342425 -0.277780
C -0.886186 0.284584 -0.007814
C -1.737029 1.424512 -0.205651
C -1.554520 -0.977951 0.139644
C 2.665523 -0.225019 -0.120013
C 3.529591 -1.320174 -0.545563
C 3.348835 0.953149 0.406328
C 5.398123 -0.086113 0.061252
H -3.452822 -2.064351 0.180637
H -3.757997 2.220378 -0.468683
H -6.720015 0.969379 1.564508
H -6.575694 -0.734595 1.824339
H 3.556123 -3.224247 -1.335581
H 1.939723 -2.509573 -1.082080
H 3.095352 2.852165 1.148920
H 1.579574 1.940635 0.702803
H 7.197047 0.816411 0.525055
H 7.315925 -0.818239 -0.161471


