%chk=000241460.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241460

0 1
Br 6.308468 -1.655301 -0.780466
Br -6.308375 -1.655280 -0.780785
Br 3.554181 3.270443 0.212456
Br -3.554212 3.270456 0.212521
O 5.808562 1.462477 -0.562532
O -5.808522 1.462494 -0.562683
N -0.000002 -0.940902 0.329297
C 1.230308 -1.516281 0.972108
C -1.230322 -1.516266 0.972102
C 2.453078 -0.747912 0.533678
C -2.453079 -0.747899 0.533634
C 0.000000 -1.188075 -1.142039
C 2.443260 0.660120 0.554220
C -2.443278 0.660132 0.554237
C 3.605367 -1.431788 0.131130
C -3.605333 -1.431772 0.130986
C 4.747530 -0.718299 -0.240702
C -4.747482 -0.718282 -0.240884
C 3.576332 1.374816 0.181988
C -3.576337 1.374830 0.181969
C 4.745290 0.688068 -0.218579
C -4.745262 0.688084 -0.218697
H 1.354941 -2.603915 0.772808
H 1.127888 -1.408457 2.079045
H -1.127915 -1.408418 2.079038
H -1.354956 -2.603903 0.772823
H -0.886438 -0.704918 -1.587191
H -0.000021 -2.247428 -1.435003
H 0.886459 -0.704954 -1.587187
H 1.526983 1.182612 0.855660
H -1.527024 1.182621 0.855751
H 3.617074 -2.523876 0.106432
H -3.617024 -2.523860 0.106238
H 6.608416 0.928258 -0.836781
H -6.608357 0.928277 -0.836991


%chk=000241460-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241460

0 1
Br 6.604771 -1.498861 -0.270341
Br -6.604746 -1.498848 -0.270548
Br 3.393880 3.337272 0.001298
Br -3.393861 3.337283 0.001218
O 5.902131 1.595303 -0.337567
O -5.902102 1.595316 -0.337739
N 0.000003 -1.098534 0.167371
C 1.233166 -1.610019 0.805685
C -1.233178 -1.610012 0.805658
C 2.468960 -0.783984 0.458191
C -2.468960 -0.783976 0.458127
C 0.000018 -1.267318 -1.302703
C 2.388762 0.628383 0.377787
C -2.388758 0.628391 0.377731
C 3.720643 -1.411521 0.263041
C -3.720637 -1.411511 0.262933
C 4.858005 -0.626863 0.004963
C -4.857990 -0.626851 0.004819
C 3.533757 1.396241 0.112352
C -3.533744 1.396251 0.112260
C 4.804185 0.789096 -0.078761
C -4.804165 0.789108 -0.078898
H 1.433301 -2.680625 0.546044
H 1.074754 -1.576415 1.902682
H -1.074791 -1.576400 1.902659
H -1.433308 -2.680619 0.546019
H -0.892452 -0.783757 -1.733406
H 0.000018 -2.342215 -1.609513
H 0.892501 -0.783763 -1.733387
H 1.415103 1.108440 0.510554
H -1.415104 1.108448 0.510532
H 3.807271 -2.501483 0.310614
H -3.807267 -2.501473 0.310498
H 6.720407 1.040701 -0.451184
H -6.720374 1.040716 -0.451386


