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	hartrees
Energy at 0K	-48.194730
Energy at 298.15K	-48.194734
HF Energy	-48.194730
Nuclear repulsion energy	17.855998

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.726
F2	0.000	0.000	-0.726

	F1	F2
F1		1.4522
F2	1.4522

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	0.000
2	F	0.000

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for F₂ (Fluorine diatomic)

using model chemistry: B3LYPultrafine/CEP-121G

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>	13.250
(<r²>)^1/2	3.640

All results from a given calculation for F2 (Fluorine diatomic)

using model chemistry: B3LYPultrafine/CEP-121G

States and conformations

All results from a given calculation for F₂ (Fluorine diatomic)