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

	hartrees
Energy at 0K	-4150.603153
Energy at 298.15K	-4150.602950
HF Energy	-4150.603153
Nuclear repulsion energy	230.179219

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	1.177
Ge2	0.000	0.000	-1.177

	Ge1	Ge2
Ge1		2.3542
Ge2	2.3542

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

All results from a given calculation for Ge₂ (Germanium diatomic)

using model chemistry: ROHF/6-311G*

States and conformations

State 1 (³Σ_g)

State 2 (¹Σ_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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-4150.562758
Energy at 298.15K	-4150.562538
HF Energy	-4150.562758
Nuclear repulsion energy	226.772827

<r²>	111.946
(<r²>)^1/2	10.580

<r²>	114.843
(<r²>)^1/2	10.716

All results from a given calculation for Ge2 (Germanium diatomic)

using model chemistry: ROHF/6-311G*

States and conformations

State 1 (3Σg)

State 2 (1Σg)

All results from a given calculation for Ge₂ (Germanium diatomic)

State 1 (³Σ_g)

State 2 (¹Σ_g)