%chk=000259490.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259490

0 1
Br 7.935062 -0.593895 2.140431
Br -7.931088 -0.669241 -2.137179
S 2.608550 0.797253 -1.166391
S -2.616753 0.778838 1.164805
O 2.314770 2.203415 -0.975814
O 2.720600 0.290561 -2.522045
O -2.334916 2.186733 0.968906
O -2.724658 0.276522 2.522403
N 1.427180 -0.207811 -0.414219
N -1.426778 -0.219066 0.416638
C 1.038261 0.037130 1.010295
C -1.040088 0.023514 -1.008904
C 0.320551 -0.665739 -1.295677
C -0.316007 -0.663422 1.299856
C 0.977272 1.510768 1.406982
C -0.992707 1.495996 -1.411715
C 4.041985 0.412315 -0.264035
C -4.046724 0.378370 0.263699
C 4.569393 -0.880884 -0.306639
C -4.561640 -0.919764 0.308698
C 4.677458 1.411248 0.479691
C -4.692070 1.369883 -0.481470
C 5.731802 -1.188291 0.409660
C -5.721369 -1.239535 -0.406536
C 5.839904 1.118174 1.199851
C -5.851984 1.064442 -1.200568
C 6.349741 -0.181955 1.155393
C -6.349307 -0.240438 -1.153647
H 1.829910 -0.473047 1.628501
H -1.827023 -0.496505 -1.624938
H 0.215162 -1.767628 -1.149244
H 0.595078 -0.533294 -2.370372
H -0.200540 -1.764861 1.157747
H -0.591735 -0.529275 2.374028
H 0.342409 2.107317 0.718507
H 0.552187 1.645451 2.409087
H 1.956056 2.002616 1.408100
H -0.568742 1.630445 -2.414329
H -1.976007 1.978742 -1.414994
H -0.363481 2.101263 -0.725664
H 4.081372 -1.660556 -0.901509
H -4.065852 -1.693738 0.904572
H 4.269932 2.431204 0.496167
H -4.294255 2.393638 -0.500007
H 6.144561 -2.197892 0.377175
H -6.124379 -2.253004 -0.372175
H 6.336406 1.897563 1.780567
H -6.356198 1.838037 -1.782388


%chk=000259490-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259490

0 1
Br 8.116524 -0.542871 2.172852
Br -8.110869 -0.615012 -2.174970
S 2.629625 0.855431 -1.221680
S -2.637911 0.833138 1.221159
O 2.403378 2.470232 -1.083831
O 2.744292 0.212809 -2.716382
O -2.424246 2.449216 1.077834
O -2.748353 0.194526 2.717867
N 1.393260 -0.256662 -0.374109
N -1.391882 -0.271866 0.378120
C 1.046944 -0.012059 1.072243
C -1.048491 -0.029385 -1.069215
C 0.324339 -0.724865 -1.285740
C -0.317168 -0.723717 1.291418
C 0.995653 1.453183 1.567948
C -1.015755 1.434395 -1.570875
C 4.169572 0.438119 -0.218234
C -4.173810 0.401010 0.217796
C 4.665584 -0.874958 -0.266515
C -4.660790 -0.915296 0.269873
C 4.793823 1.478848 0.485739
C -4.804444 1.435066 -0.490321
C 5.846378 -1.166997 0.452121
C -5.838676 -1.217814 -0.449257
C 5.976270 1.184087 1.202566
C -5.983936 1.129840 -1.207554
C 6.481708 -0.133823 1.178292
C -6.480246 -0.191470 -1.179611
H 1.805647 -0.550041 1.678069
H -1.800544 -0.579238 -1.672653
H 0.215107 -1.817339 -1.147376
H 0.664855 -0.567299 -2.326285
H -0.194616 -1.815273 1.157061
H -0.659505 -0.566608 2.331438
H 0.189725 2.038441 1.095272
H 0.807494 1.437812 2.657332
H 1.944751 1.985344 1.396526
H -0.823918 1.416950 -2.659590
H -1.972822 1.953915 -1.404786
H -0.219688 2.032836 -1.098075
H 4.153850 -1.648389 -0.846690
H -4.144502 -1.683273 0.853249
H 4.377451 2.491326 0.459191
H -4.395068 2.450463 -0.466447
H 6.263197 -2.177574 0.441953
H -6.248508 -2.231213 -0.436302
H 6.491198 1.968637 1.763154
H -6.503573 1.909014 -1.771274


