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	hartrees
Energy at 0K	-578.900087
Energy at 298.15K	-578.898826
Nuclear repulsion energy	50.696867

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.023
Si2	0.000	0.000	-1.023

	Si1	Si2
Si1		2.0459
Si2	2.0459

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

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

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

using model chemistry: B1B95/cc-pVQZ

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>	45.107
(<r²>)^1/2	6.716

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

using model chemistry: B1B95/cc-pVQZ

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)