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	hartrees
Energy at 0K	-578.917534
Energy at 298.15K	-578.916195
Nuclear repulsion energy	45.730023

	hartrees
Energy at 0K	-578.884337
Energy at 298.15K	-578.883079
Nuclear repulsion energy	50.710700

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

	Si1	Si2
Si1		2.0453
Si2	2.0453

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: B1B95/6-311G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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<r²>	45.230
(<r²>)^1/2	6.725

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

using model chemistry: B1B95/6-311G*

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)