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	hartrees
Energy at 0K	-124.528175
Energy at 298.15K	-124.527001
HF Energy	-124.528175
Nuclear repulsion energy	18.570140

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.824
F2	0.000	0.000	0.458

	B1	F2
B1		1.2823
F2	1.2823

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.006
2	F	-0.006

	x	y	z	Total
	0.000	0.000	1.009	1.009
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/cc-pVDZ

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>	12.485
(<r²>)^1/2	3.533