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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	D*H	¹Σ_g
2	1	yes	D*H	³Π_g

	hartrees
Energy at 0K	-29.301883
Energy at 298.15K	-29.299905
HF Energy	-29.301883
Nuclear repulsion energy

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.969
Be2	0.000	0.000	-0.969

	Be1	Be2
Be1		1.9388
Be2	1.9388

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

All results from a given calculation for Be₂ (Beryllium diatomic)

using model chemistry: wB97X-D/6-31G*

States and conformations

State 1 (¹Σ_g)

State 2 (³Π_g)

	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>	16.500
(<r²>)^1/2	4.062

<r²>	16.500
(<r²>)^1/2	4.062

All results from a given calculation for Be2 (Beryllium diatomic)

using model chemistry: wB97X-D/6-31G*

States and conformations

State 1 (1Σg)

State 2 (3Πg)

All results from a given calculation for Be₂ (Beryllium diatomic)

State 1 (¹Σ_g)

State 2 (³Π_g)