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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	-326.933565
Energy at 298.15K	-326.931839
HF Energy	-326.643955
Nuclear repulsion energy	26.516595

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.503
C2	0.000	0.000	-1.173

	Si1	C2
Si1		1.6763
C2	1.6763

	hartrees
Energy at 0K	-326.921285
Energy at 298.15K	-326.919568
HF Energy	-326.535814
Nuclear repulsion energy	26.646728

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

using model chemistry: MP2=FULL/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		1.6682
C2	1.6682

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

using model chemistry: MP2=FULL/aug-cc-pV(T+d)Z

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)