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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	-326.789912
Energy at 298.15K	-326.788174
HF Energy	-326.605609
Nuclear repulsion energy	25.763229

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.518
C2	0.000	0.000	-1.208

	Si1	C2
Si1		1.7254
C2	1.7254

	hartrees
Energy at 0K	-326.755970
Energy at 298.15K	-326.754249
HF Energy	-326.494017
Nuclear repulsion energy	26.855621

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

using model chemistry: CCSD=FULL/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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	Si1	C2
Si1		1.6552
C2	1.6552

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

using model chemistry: CCSD=FULL/6-31G*

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)