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	hartrees
Energy at 0K	-324.360095
Energy at 298.15K
HF Energy	-324.360095
Nuclear repulsion energy	20.781019

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	1.541
Na2	0.000	0.000	-1.541

	Na1	Na2
Na1		3.0812
Na2	3.0812

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

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for Na₂ (Sodium diatomic)

using model chemistry: PBEPBE/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>	63.882
(<r²>)^1/2	7.993

All results from a given calculation for Na2 (Sodium diatomic)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for Na₂ (Sodium diatomic)