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	hartrees
Energy at 0K	-123.981180
Energy at 298.15K	-123.980009
HF Energy	-123.981180
Nuclear repulsion energy	18.190589

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.842
F2	0.000	0.000	0.468

	B1	F2
B1		1.3091
F2	1.3091

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.213
2	F	-0.213

	x	y	z	Total
	0.000	0.000	0.987	0.987
CHELPG
AIM
ESP

All results from a given calculation for BF (Boron monofluoride)

using model chemistry: B3LYPultrafine/3-21G*

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>	12.756
(<r²>)^1/2	3.572