%chk=000248123.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248123

0 1
Br 4.767942 0.153965 3.913717
O -3.352030 -1.181907 1.936209
O -5.795235 1.720230 -0.700837
N -1.022984 -0.777116 -0.060476
N -3.641379 1.291508 -1.385267
N -4.569379 0.272794 0.629304
N -1.273140 0.642101 -1.868413
N 0.861935 -0.568988 -1.696762
N 1.864107 -0.580092 -0.749666
C -2.323683 -0.241292 -0.006243
C -2.450097 0.615095 -1.138742
C -3.377401 -0.467626 0.952872
C -0.419779 -0.217151 -1.177927
C -4.749245 1.135637 -0.492084
C -0.441756 -1.676392 0.937751
C -3.765515 2.180624 -2.565637
C -5.736765 0.154213 1.547021
C 3.109178 -0.588321 -1.140753
C 4.170238 -0.733524 -0.121640
C 3.981789 -0.291703 1.198519
C 5.392996 -1.317230 -0.498568
C 5.021473 -0.445230 2.116614
C 6.417141 -1.461040 0.439581
C 6.240010 -1.024432 1.757582
H 0.361685 -1.169439 1.507314
H -1.221458 -2.012111 1.656964
H 0.000176 -2.564947 0.448607
H -4.778607 2.625944 -2.601457
H -3.592820 1.607989 -3.494259
H -3.018832 2.992871 -2.512457
H -5.632702 -0.753236 2.171302
H -6.676544 0.089548 0.970071
H -5.794681 1.033962 2.210175
H 1.040789 -0.139612 -2.625585
H 3.465390 -0.507796 -2.179210
H 3.032144 0.162534 1.493120
H 5.543589 -1.664872 -1.520078
H 7.363258 -1.916846 0.145716
H 7.043994 -1.137711 2.486222


%chk=000248123-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248123

0 1
Br 4.886878 -2.348179 3.805608
O -3.377481 -0.567765 2.286528
O -6.085488 1.155178 -1.169930
N -0.976311 -0.161834 0.304506
N -3.784430 0.977426 -1.597329
N -4.710144 0.299846 0.525786
N -1.343282 0.694317 -1.801730
N 0.909473 0.161535 -1.275780
N 1.901704 -0.298062 -0.447216
C -2.365673 0.090679 0.178811
C -2.539947 0.608979 -1.114773
C -3.448633 -0.104281 1.102385
C -0.424563 0.218304 -0.906590
C -4.928870 0.831521 -0.774009
C -0.329326 -0.715001 1.514057
C -3.929366 1.522249 -2.960406
C -5.923897 0.155180 1.362280
C 3.137350 -0.304362 -0.914055
C 4.257772 -0.777546 -0.096818
C 4.061354 -1.252548 1.233595
C 5.572294 -0.764184 -0.640546
C 5.167787 -1.694251 1.973088
C 6.667466 -1.214039 0.125410
C 6.479187 -1.685881 1.445078
H 0.423394 -0.011100 1.902396
H -1.121675 -0.874285 2.261705
H 0.168308 -1.669682 1.281388
H -4.995996 1.737636 -3.118790
H -3.574592 0.787188 -3.702282
H -3.334397 2.445100 -3.065049
H -5.608377 -0.276129 2.323363
H -6.651586 -0.503672 0.861081
H -6.397439 1.138672 1.516227
H 1.099139 0.494773 -2.232739
H 3.375942 0.046285 -1.937217
H 3.052541 -1.264436 1.653562
H 5.732882 -0.401075 -1.662731
H 7.676628 -1.200736 -0.299217
H 7.325174 -2.035416 2.042953


