%chk=000292057.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292057

0 1
Br 1.175584 -0.345240 -2.122558
S -2.710352 1.335785 0.347043
O -2.973312 1.750928 1.711578
O -3.723221 1.457256 -0.662624
O 0.536684 -3.415382 -1.907128
O -0.827164 -2.220336 -3.088971
N -1.369294 2.366328 -0.122218
N -0.321819 1.641358 -0.743476
N -0.363625 -2.601012 -2.023072
C -2.088054 -0.281195 0.366869
C 0.893323 1.447390 0.027482
C -1.673841 -0.863678 -0.830529
C -1.913824 -0.954255 1.581330
C -0.974614 -2.081409 -0.780943
C 3.282668 0.750557 1.337025
C 1.756642 0.470947 -0.506115
C 1.229671 2.064406 1.237376
C -1.284683 -2.204370 1.609831
C 2.941998 0.121796 0.122503
C 2.419089 1.711454 1.883432
C -0.781803 -2.761317 0.432336
C 4.556879 0.386188 2.021889
H -1.086026 3.101861 0.549514
H -1.858234 -0.379058 -1.802693
H -0.111946 2.112937 -1.654120
H -2.263003 -0.495293 2.516908
H 0.580466 2.816261 1.685024
H -1.165458 -2.733354 2.556054
H 3.601371 -0.632526 -0.311107
H 2.675198 2.197597 2.825664
H -0.232918 -3.709913 0.443826
H 4.633656 -0.699152 2.185471
H 5.430171 0.683356 1.420631
H 4.667792 0.865284 3.003867


%chk=000292057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292057

0 1
Br 3.227465 0.369226 -2.054471
S -2.312458 1.195221 0.396870
O -1.867508 1.427480 1.981067
O -3.872364 1.412894 -0.067929
O -2.795194 -4.615501 -2.456351
O -3.864962 -2.684398 -3.032715
N -0.635444 2.225150 -0.938564
N 0.521793 1.525255 -0.919374
N -3.050050 -3.360166 -2.298194
C -1.939333 -0.646553 0.055759
C 1.538279 1.503673 0.074960
C -2.625649 -1.275105 -0.992721
C -1.025599 -1.312976 0.890993
C -2.349595 -2.644524 -1.195188
C 3.635815 1.528306 2.023097
C 2.843614 1.040585 -0.245428
C 1.283119 1.944710 1.402960
C -0.778421 -2.687342 0.659607
C 3.875279 1.049756 0.707528
C 2.323088 1.961426 2.349158
C -1.437019 -3.361671 -0.389645
C 4.756121 1.579538 3.043461
H -0.577522 2.983743 -0.216503
H -3.360578 -0.746104 -1.607668
H 0.654664 0.924530 -1.741453
H -0.554096 -0.773123 1.719797
H 0.258770 2.197285 1.710587
H -0.077537 -3.230175 1.301192
H 4.871300 0.692525 0.428172
H 2.103077 2.295155 3.369089
H -1.267936 -4.422828 -0.590499
H 5.563917 0.867951 2.802409
H 5.206320 2.590459 3.081989
H 4.386646 1.349795 4.058109


