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	hartrees
Energy at 0K	-124.575907
Energy at 298.15K
HF Energy	-124.575907
Nuclear repulsion energy	18.884521

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.811
F2	0.000	0.000	0.450

	B1	F2
B1		1.2610
F2	1.2610

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.093
2	F	-0.093

	x	y	z	Total
	0.000	0.000	1.043	1.043
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/cc-pCVTZ

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>	12.408
(<r²>)^1/2	3.522