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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	-578.130169
Energy at 298.15K	-578.128867
HF Energy	-577.737109
Nuclear repulsion energy	47.960927

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.081
Si2	0.000	0.000	-1.081

	Si1	Si2
Si1		2.1626
Si2	2.1626

	hartrees
Energy at 0K	-578.109266
Energy at 298.15K	-578.108001
Nuclear repulsion energy	50.254876

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

using model chemistry: MP2=FULL/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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All results from a given calculation for Si2 (Silicon diatomic)

using model chemistry: MP2=FULL/6-311G*

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)