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	hartrees
Energy at 0K	-1.169608
Energy at 298.15K	-1.169529
HF Energy	-1.169608
Nuclear repulsion energy	0.709026

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	0.373
H2	0.000	0.000	-0.373

	H1	H2
H1		0.7463
H2	0.7463

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

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for H₂ (Hydrogen diatomic)

using model chemistry: BLYP/aug-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>	1.491
(<r²>)^1/2	1.221

All results from a given calculation for H2 (Hydrogen diatomic)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂ (Hydrogen diatomic)