%chk=000194263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194263

0 1
Br 1.564365 -5.385413 0.575221
P -2.675910 2.380277 0.708167
O -2.133362 0.853148 0.787947
O 2.997214 -0.688244 0.996618
O -3.714240 2.285696 -0.573167
O -1.443751 3.204286 -0.020878
O -1.356046 -2.820369 -0.322991
O -3.200104 2.983239 1.936681
N 0.650624 -2.620261 0.769225
N 1.746592 1.853983 -1.368532
C 0.788175 -0.195209 0.334161
C -0.096696 0.551125 -0.457722
C 0.325101 -1.269216 1.288339
C 2.163853 0.093731 0.226610
C -1.576097 0.290875 -0.439919
C 2.625362 1.123074 -0.632877
C 0.425228 1.575391 -1.277854
C 4.075126 1.451049 -0.762686
C -0.254435 -3.275365 -0.052428
C 0.181826 -4.632533 -0.559599
H 0.835176 -1.142574 2.275190
H -0.775049 -1.188318 1.485816
H -2.101274 0.664663 -1.339970
H -1.817366 -0.799502 -0.316108
H -0.242538 2.216984 -1.872663
H 1.639416 -2.869424 0.834597
H 4.657628 0.594413 -1.127944
H 4.232398 2.268073 -1.492043
H 4.502547 1.800414 0.187036
H 3.935857 -0.375998 0.948147
H 0.560386 -4.566526 -1.597733
H -0.684219 -5.327396 -0.574256
H -4.597581 2.718564 -0.480030
H -1.167706 4.064162 0.384146


%chk=000194263-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194263

0 1
Br 2.101074 -5.337927 0.165350
P -2.912109 2.378622 0.866673
O -2.186210 0.842016 0.734481
O 2.984731 -0.710181 1.021984
O -4.055533 2.268581 -0.407025
O -1.860909 3.540072 0.110934
O -1.266750 -2.879975 -0.509992
O -3.384003 2.739392 2.330581
N 0.627635 -2.587813 0.819402
N 1.850219 1.820496 -1.462570
C 0.767581 -0.161495 0.281291
C -0.082316 0.608567 -0.557583
C 0.258141 -1.222939 1.248190
C 2.159042 0.082810 0.200288
C -1.575601 0.393696 -0.577574
C 2.681142 1.077908 -0.672744
C 0.509688 1.582565 -1.400008
C 4.168540 1.351939 -0.754685
C -0.156832 -3.298651 -0.041377
C 0.274248 -4.700567 -0.474615
H 0.705867 -1.056024 2.242638
H -0.836055 -1.167378 1.348529
H -2.056459 0.935015 -1.409890
H -1.835536 -0.677658 -0.624139
H -0.117747 2.203235 -2.048635
H 1.546186 -2.951382 1.088195
H 4.738810 0.467943 -1.104664
H 4.333147 2.165033 -1.477599
H 4.592171 1.672832 0.218426
H 3.936566 -0.463784 0.913641
H 0.314715 -4.748181 -1.572517
H -0.444281 -5.441558 -0.092851
H -4.496153 3.119117 -0.656792
H -1.212508 3.972477 0.723157


