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	hartrees
Energy at 0K	-199.540280
Energy at 298.15K	-199.540299
HF Energy	-199.540280
Nuclear repulsion energy	31.102734

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.689
F2	0.000	0.000	-0.689

	F1	F2
F1		1.3781
F2	1.3781

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: B1B95/cc-pVTZ

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>	14.310
(<r²>)^1/2	3.783

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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