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	hartrees
Energy at 0K	-262.177714
Energy at 298.15K	-262.178352
HF Energy	-262.177714
Nuclear repulsion energy	27.721223

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	0.850
F2	0.000	0.000	-1.039

	Na1	F2
Na1		1.8898
F2	1.8898

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.384
2	F	-0.384

	x	y	z	Total
	0.000	0.000	7.246	7.246
CHELPG
AIM
ESP

All results from a given calculation for NaF (sodium fluoride)

using model chemistry: B3LYP/6-31G(2df,p)

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>	24.002
(<r²>)^1/2	4.899