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	hartrees
Energy at 0K	-1.161679
Energy at 298.15K	-1.161600
HF Energy	-1.155740
Nuclear repulsion energy	0.715997

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	0.370
H2	0.000	0.000	-0.370

	H1	H2
H1		0.7391
H2	0.7391

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

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.995

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

using model chemistry: B2PLYP/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>	1.469
(<r²>)^1/2	1.212

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

using model chemistry: B2PLYP/CEP-121G

States and conformations

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