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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	-326.614599
Energy at 298.15K	-326.612827
HF Energy	-326.614599
Nuclear repulsion energy	25.277168

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.528
C2	0.000	0.000	-1.231

	Si1	C2
Si1		1.7585
C2	1.7585

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Si	0.119
2	C	-0.119

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

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

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
You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-326.503611
Energy at 298.15K	-326.501900
HF Energy	-326.503611
Nuclear repulsion energy	27.431473

<r²>	25.090
(<r²>)^1/2	5.009

	Si1	C2
Si1		1.6204
C2	1.6204

<r²>	22.461
(<r²>)^1/2	4.739

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

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

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)