%chk=000246650.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246650

0 1
Br 5.729213 -0.140199 1.741628
O -2.359431 1.821530 0.781327
O -2.438568 -1.702997 0.193551
O -2.592164 1.503560 -1.458264
O -1.088239 -1.799533 -1.633790
N 0.217058 0.588791 -0.801921
C -1.012828 0.142144 -0.128805
C 1.473868 0.328813 -0.182937
C -2.074738 1.218943 -0.410068
C -1.486543 -1.221504 -0.655191
C 1.610289 0.257947 1.218098
C 2.618767 0.252346 -1.008611
C -3.311682 2.940202 0.780288
C -3.038077 -3.011425 -0.105894
C 2.876364 0.120759 1.786977
C 3.880090 0.119420 -0.432738
C 3.999442 0.051703 0.959404
C -2.645640 4.178970 0.225137
C -2.068168 -4.115353 0.249291
H -0.867816 0.067635 0.994136
H 0.186762 0.416651 -1.817762
H 0.733660 0.326809 1.862335
H 2.523332 0.301737 -2.092191
H -3.539690 3.008339 1.860148
H -4.203692 2.635939 0.205074
H -3.331599 -3.021223 -1.170545
H -3.927068 -2.975618 0.551107
H 2.980038 0.070087 2.872851
H 4.765203 0.064711 -1.070357
H -2.446277 4.078895 -0.853203
H -1.679829 4.372454 0.711764
H -3.272113 5.068674 0.361662
H -1.684524 -4.007955 1.272347
H -1.197929 -4.118227 -0.425557
H -2.540669 -5.102925 0.174409


%chk=000246650-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246650

0 1
Br 5.503480 2.473522 1.436932
O -1.887490 1.313351 1.029491
O -2.774615 -1.906086 -0.039559
O -2.081111 1.197411 -1.298452
O -1.157476 -2.407053 -1.648891
N 0.482546 -0.451393 -0.726949
C -0.799161 -0.547431 -0.060435
C 1.592318 0.232758 -0.223798
C -1.662786 0.738869 -0.215782
C -1.570416 -1.726221 -0.684234
C 1.538508 0.988020 0.984224
C 2.827901 0.169708 -0.933646
C -2.693631 2.580725 1.048180
C -3.662225 -3.005484 -0.552807
C 2.691510 1.640383 1.472341
C 3.974909 0.827015 -0.450639
C 3.900027 1.556732 0.755223
C -1.805255 3.794805 0.768132
C -3.294612 -4.340848 0.096170
H -0.689818 -0.738694 1.025152
H 0.561623 -0.980360 -1.599044
H 0.602340 1.084346 1.542325
H 2.889740 -0.401810 -1.867327
H -3.117095 2.595314 2.064673
H -3.498531 2.485713 0.298360
H -3.563551 -3.042999 -1.651476
H -4.670450 -2.665190 -0.270311
H 2.637987 2.213336 2.402919
H 4.914683 0.766755 -1.007286
H -1.401537 3.759968 -0.257101
H -0.964716 3.845612 1.481492
H -2.402077 4.719774 0.872700
H -3.336754 -4.270880 1.196526
H -2.284256 -4.663169 -0.206012
H -4.013208 -5.116397 -0.227390


