%chk=000252088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252088

0 1
Br -1.417529 -1.211381 1.815025
O 2.911102 0.843067 0.607531
O 1.657976 -0.892915 -0.301980
O -1.659271 -0.173215 -2.143987
O -1.286237 2.733354 1.012918
O -4.586125 -0.377311 0.294804
N -0.732004 0.825509 -0.183777
N -2.960745 1.197657 0.653622
C -1.168677 -0.422751 -0.847751
C 0.679913 1.241559 -0.361547
C -2.252761 -1.047184 0.057191
C 1.607006 0.318205 0.459154
C -1.603532 1.663921 0.536958
C -3.413596 -0.102049 0.317518
C 3.690712 1.052783 -0.607131
C 2.297465 -2.018365 0.370850
C 5.130350 1.053201 -0.129575
C 2.413783 -3.079519 -0.705552
H -0.289502 -1.113803 -1.030278
H 0.818209 2.297252 -0.017452
H 0.942963 1.202642 -1.443610
H -2.596924 -2.036268 -0.317329
H 1.287566 0.151180 1.509051
H -3.637734 1.872766 1.040456
H -2.361962 0.510246 -2.182596
H 3.475124 0.238355 -1.321663
H 3.382074 2.026383 -1.023867
H 3.278898 -1.683264 0.752125
H 1.644815 -2.324087 1.206954
H 5.819540 1.331456 -0.934197
H 5.268656 1.764233 0.697972
H 5.427717 0.068379 0.252114
H 2.923709 -3.974253 -0.330268
H 1.428025 -3.383700 -1.080433
H 2.977794 -2.705782 -1.571354


%chk=000252088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252088

0 1
Br -1.708861 -2.231126 1.181069
O 3.032111 0.844158 0.596265
O 1.694734 -0.995441 -0.234171
O -1.632014 0.212032 -2.304347
O -1.140426 2.570040 1.351448
O -4.648481 -0.340525 0.378608
N -0.686552 0.789775 -0.117421
N -2.871473 1.118466 0.773597
C -1.208269 -0.276486 -0.975229
C 0.721988 1.201675 -0.294435
C -2.382418 -1.015621 -0.314764
C 1.695790 0.283326 0.470827
C -1.509186 1.550550 0.708762
C -3.421513 -0.079266 0.298727
C 3.715227 1.156818 -0.686344
C 2.324445 -2.094387 0.539679
C 5.194817 1.357815 -0.363734
C 2.298551 -3.347305 -0.332401
H -0.384564 -0.968572 -1.200346
H 0.827126 2.227607 0.094176
H 0.957420 1.189985 -1.373232
H -2.860096 -1.702358 -1.025557
H 1.369211 0.150585 1.521214
H -3.489810 1.746371 1.297964
H -2.327796 0.915276 -2.207142
H 3.561567 0.319287 -1.394897
H 3.280498 2.079931 -1.121807
H 3.358144 -1.799360 0.805011
H 1.747600 -2.243458 1.476775
H 5.753984 1.626725 -1.278732
H 5.323737 2.167523 0.375057
H 5.631489 0.435243 0.056290
H 2.762716 -4.193900 0.205645
H 1.260844 -3.625924 -0.585977
H 2.856260 -3.183158 -1.270684


