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	hartrees
Energy at 0K	-574.055711
Energy at 298.15K	-574.054307
Nuclear repulsion energy	43.775671

	hartrees
Energy at 0K	-574.178361
Energy at 298.15K	-574.177117
Nuclear repulsion energy	50.952102

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.018
Si2	0.000	0.000	-1.018

	Si1	Si2
Si1		2.0356
Si2	2.0356

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

All results from a given calculation for Si₂ (Silicon diatomic)

using model chemistry: LSDA/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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<r²>	44.904
(<r²>)^1/2	6.701

All results from a given calculation for Si2 (Silicon diatomic)

using model chemistry: LSDA/3-21G

States and conformations

State 1 (3Σg)

State 2 (1Σg)

All results from a given calculation for Si₂ (Silicon diatomic)

State 1 (³Σ_g)

State 2 (¹Σ_g)