%chk=000239940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239940

0 1
Br 6.468843 -1.092696 0.028125
O -3.686894 -1.156623 -0.094762
O -0.247223 -0.185722 -1.570450
N -1.542713 1.367016 -0.447871
N 0.716461 0.982462 0.203147
C -2.779047 0.861363 -1.102528
C -3.711547 0.248405 -0.124766
C 2.049620 0.477264 0.107358
C -0.348866 0.625237 -0.668304
C -4.615236 0.726119 0.791806
C 3.006601 1.023720 0.991213
C 2.417052 -0.533543 -0.799884
C -5.197820 -0.422906 1.439184
C 4.319180 0.553074 0.964367
C 3.731816 -0.996898 -0.820063
C -4.616191 -1.530520 0.878569
C 4.671083 -0.452387 0.060512
H -2.508924 0.122597 -1.907827
H -3.264777 1.728354 -1.616101
H -1.702294 1.805976 0.458331
H 0.575597 1.735618 0.878628
H -4.868679 1.747100 0.999939
H 2.735315 1.807060 1.694828
H 1.677869 -0.956799 -1.491933
H -5.945061 -0.386699 2.208401
H 5.059793 0.973386 1.647481
H 4.016633 -1.781789 -1.524558
H -4.696090 -2.588367 0.997758


%chk=000239940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239940

0 1
Br 6.850980 -0.633445 -0.303119
O -3.729753 -1.029002 0.614109
O -0.156852 -0.228868 -1.680001
N -1.479408 0.931089 -0.144546
N 0.811315 0.681787 0.277292
C -2.723686 0.678833 -0.892651
C -3.854162 0.230112 -0.018549
C 2.179524 0.350475 0.092120
C -0.262719 0.413808 -0.592004
C -5.080955 0.786064 0.313336
C 3.090109 0.740590 1.112290
C 2.669127 -0.340753 -1.049278
C -5.761164 -0.151304 1.185310
C 4.465490 0.452984 1.003244
C 4.046807 -0.626647 -1.158708
C -4.913359 -1.232886 1.345876
C 4.932924 -0.230199 -0.137681
H -2.467254 -0.081371 -1.653514
H -3.050982 1.588451 -1.432824
H -1.546478 1.464883 0.723018
H 0.597265 1.161582 1.154001
H -5.457458 1.748874 -0.027822
H 2.727564 1.274146 2.000306
H 1.970808 -0.646814 -1.829940
H -6.747470 -0.034742 1.629597
H 5.155799 0.758368 1.794499
H 4.418908 -1.158159 -2.039354
H -4.970417 -2.168052 1.895592


