%chk=000259906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259906

0 1
Br -1.968641 2.781197 0.690089
Br -3.012846 -2.668792 0.308275
O -4.140498 -0.363076 -1.545071
N -3.531571 0.257272 0.582318
N 6.121870 0.409885 -0.209109
C 1.293460 1.756177 0.300807
C 0.125709 0.804601 0.309959
C 0.579020 -0.548298 0.127175
C 2.476364 0.836968 0.094544
C 2.035954 -0.520045 -0.004719
C -1.220018 1.060977 0.453215
C -0.316621 -1.609489 0.101767
C 3.812526 1.169256 -0.001188
C 2.958382 -1.542608 -0.197543
C -2.139794 -0.012359 0.421536
C -1.679946 -1.322560 0.262698
C 4.745903 0.114767 -0.193596
C 4.316289 -1.227119 -0.296279
C -4.474084 0.041652 -0.453395
C -5.885702 0.365550 -0.052270
H 1.367559 2.328288 1.247514
H 1.202070 2.509395 -0.508263
H 0.024454 -2.635154 -0.037043
H 4.145433 2.198032 0.081317
H 2.630636 -2.578882 -0.274073
H 5.041939 -2.022489 -0.439686
H -3.807722 0.702372 1.457883
H 6.394969 1.358929 -0.411118
H 6.743437 -0.277595 -0.606076
H -6.226932 -0.239720 0.798133
H -6.567900 0.153048 -0.892674
H -6.016400 1.424121 0.206572


%chk=000259906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259906

0 1
Br -1.877016 2.895682 0.639720
Br -2.914726 -2.864260 0.454844
O -4.232878 -0.472811 -1.550969
N -3.594968 0.255751 0.579175
N 6.159228 0.424305 -0.349234
C 1.295406 1.772913 0.267847
C 0.122301 0.806622 0.302224
C 0.584963 -0.538134 0.139006
C 2.489100 0.845208 0.065899
C 2.046202 -0.511371 -0.007014
C -1.246307 1.043246 0.442593
C -0.324439 -1.616608 0.148773
C 3.845300 1.172784 -0.045582
C 2.988279 -1.547621 -0.194987
C -2.203527 -0.016755 0.442837
C -1.695856 -1.341732 0.320250
C 4.801379 0.127466 -0.235148
C 4.354175 -1.229197 -0.307560
C -4.540212 0.024637 -0.435283
C -5.970771 0.391753 -0.050570
H 1.369667 2.358305 1.205135
H 1.191048 2.510010 -0.552114
H 0.016902 -2.649867 0.045474
H 4.181213 2.215706 0.009453
H 2.669958 -2.594400 -0.256667
H 5.091554 -2.027646 -0.454658
H -3.892716 0.800981 1.391362
H 6.489760 1.383712 -0.304993
H 6.843579 -0.313197 -0.488665
H -6.496527 -0.516377 0.297310
H -6.495198 0.762539 -0.944856
H -6.027576 1.152656 0.748096


