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	hartrees
Energy at 0K	-577.874377
Energy at 298.15K	-577.873100
Nuclear repulsion energy	49.887526

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.040
Si2	0.000	0.000	-1.040

	Si1	Si2
Si1		2.0791
Si2	2.0791

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

using model chemistry: CCD/6-31G(2df,p)

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/6-31G(2df,p)

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)