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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	-577.865576
Energy at 298.15K	-577.864279
Nuclear repulsion energy	47.895912

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.083
Si2	0.000	0.000	-1.083

	Si1	Si2
Si1		2.1655
Si2	2.1655

	hartrees
Energy at 0K	-577.834224
Energy at 298.15K	-577.832951
Nuclear repulsion energy	50.023286

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

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)