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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Σ
2	1	yes	C*V	¹Σ

	hartrees
Energy at 0K	-326.606381
Energy at 298.15K	-326.604606
HF Energy	-326.606381
Nuclear repulsion energy	25.143990

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.530
C2	0.000	0.000	-1.237

	Si1	C2
Si1		1.7679
C2	1.7679

	hartrees
Energy at 0K	-326.494724
Energy at 298.15K	-326.493013
HF Energy	-326.494725
Nuclear repulsion energy	27.374758

All results from a given calculation for SiC (silicon monocarbide)

using model chemistry: HF/6-31G*

States and conformations

State 1 (³Σ)

State 2 (¹Σ)

	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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	Si1	C2
Si1		1.6238
C2	1.6238

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Si	0.321
2	C	-0.321

	x	y	z	Total
	0.000	0.000	1.433	1.433
CHELPG
AIM
ESP

<r²>	22.616
(<r²>)^1/2	4.756

All results from a given calculation for SiC (silicon monocarbide)

using model chemistry: HF/6-31G*

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)