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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	-4135.926316
Energy at 298.15K	-4135.926050
HF Energy	-4135.926316
Nuclear repulsion energy

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	1.163
Ge2	0.000	0.000	-1.163

	Ge1	Ge2
Ge1		2.3258
Ge2	2.3258

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: B97D3/3-21G

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	-4135.902637
Energy at 298.15K	-4135.902315
HF Energy	-4135.902637
Nuclear repulsion energy

<r²>	108.655
(<r²>)^1/2	10.424

<r²>	125.888
(<r²>)^1/2	11.220

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

using model chemistry: B97D3/3-21G

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)