%chk=000245114.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245114

0 1
Br -0.423046 3.316471 0.288827
O 2.997491 -2.805956 -0.476389
O -1.732311 -1.464988 -1.143160
O -4.674022 -0.547525 2.723084
O -2.922552 0.732632 2.178673
N -1.416885 0.569601 -0.100403
C 2.797688 0.706574 0.062391
C 2.139000 -0.543757 -0.161255
C 4.255702 0.475493 0.082370
C 4.495485 -0.918373 -0.129119
C 3.183505 -1.633725 -0.290938
C 0.769953 -0.648192 -0.228887
C 2.063788 1.869334 0.213000
C 0.007455 0.542050 -0.062436
C 5.310669 1.351087 0.261595
C 0.665055 1.765942 0.139018
C 5.779111 -1.424150 -0.160206
C 6.622397 0.828735 0.228920
C 6.854757 -0.527491 0.022795
C -2.202669 -0.457442 -0.652115
C -3.685692 -0.177409 -0.686217
C -4.486793 0.033282 0.447184
C -4.281485 -0.211037 -1.954823
C -5.875136 0.185672 0.307813
C -5.661755 -0.033736 -2.092171
C -6.459597 0.159455 -0.961026
C -3.907990 0.129466 1.811067
H 0.275322 -1.612032 -0.413736
H 2.544681 2.833363 0.377992
H 5.146551 2.413293 0.423743
H 5.959944 -2.487649 -0.321794
H 7.463856 1.508600 0.368793
H 7.874456 -0.909768 0.000913
H -1.891090 1.305723 0.460364
H -3.661409 -0.392406 -2.837935
H -6.495334 0.318286 1.198374
H -6.114943 -0.056584 -3.084855
H -7.538222 0.283701 -1.065568
H -4.300335 -0.490340 3.649216


%chk=000245114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245114

0 1
Br -0.296904 3.213163 1.227736
O 3.062459 -2.630963 -1.261263
O -1.713428 -1.292931 -1.421328
O -5.112427 0.529628 2.738217
O -3.054307 1.253021 2.017135
N -1.388353 0.486082 0.064412
C 2.882268 0.652169 0.217176
C 2.219586 -0.489177 -0.319996
C 4.349242 0.429208 0.157004
C 4.581312 -0.856921 -0.419364
C 3.257344 -1.496112 -0.747520
C 0.827723 -0.581437 -0.396714
C 2.121215 1.734121 0.684232
C 0.028114 0.506760 0.080064
C 5.433919 1.231157 0.552757
C 0.711660 1.649674 0.604021
C 5.878778 -1.356027 -0.606459
C 6.749901 0.729642 0.363989
C 6.974334 -0.546761 -0.207719
C -2.187801 -0.385378 -0.665303
C -3.709585 -0.199380 -0.648743
C -4.596363 0.195497 0.413001
C -4.301425 -0.606702 -1.876555
C -6.006413 0.145908 0.209480
C -5.694397 -0.609825 -2.078351
C -6.558165 -0.237613 -1.024404
C -4.150876 0.691330 1.742186
H 0.339621 -1.459348 -0.822595
H 2.586575 2.633630 1.096373
H 5.281645 2.220648 0.997559
H 6.029949 -2.345557 -1.050279
H 7.607404 1.341319 0.666214
H 7.999704 -0.907460 -0.341328
H -1.880690 1.122549 0.723372
H -3.626788 -0.952385 -2.664425
H -6.658014 0.421392 1.042283
H -6.101021 -0.915969 -3.047879
H -7.644405 -0.252277 -1.158886
H -4.765792 0.921524 3.585000


