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	hartrees
Energy at 0K	-124.634948
Energy at 298.15K	-124.633774
HF Energy	-124.634948
Nuclear repulsion energy	18.536637

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.826
F2	0.000	0.000	0.459

	B1	F2
B1		1.2846
F2	1.2846

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.156
2	F	-0.156

	x	y	z	Total
	0.000	0.000	0.821	0.821
CHELPG
AIM
ESP

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

using model chemistry: M06-2X/aug-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>	12.670
(<r²>)^1/2	3.559