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	hartrees
Energy at 0K	-2673.585442
Energy at 298.15K
HF Energy	-2673.412748
Nuclear repulsion energy	94.357879

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.361
F2	0.000	0.000	-1.405

	Br1	F2
Br1		1.7666
F2	1.7666

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Br	0.275
2	F	-0.275

	x	y	z	Total
	0.000	0.000	1.420	1.420
CHELPG
AIM
ESP

All results from a given calculation for BrF (Bromine monofluoride)

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	36.595
(<r²>)^1/2	6.049