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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	-326.855332
Energy at 298.15K	-326.853612
HF Energy	-326.646347
Nuclear repulsion energy	25.839771

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.516
C2	0.000	0.000	-1.204

	Si1	C2
Si1		1.7203
C2	1.7203

	hartrees
Energy at 0K	-326.818921
Energy at 298.15K	-326.817213
HF Energy	-326.536544
Nuclear repulsion energy	26.881120

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

using model chemistry: CCSD/aug-cc-pV(T+d)Z

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		1.6536
C2	1.6536

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

using model chemistry: CCSD/aug-cc-pV(T+d)Z

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)