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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	-327.211832
Energy at 298.15K	-327.210111
HF Energy	-327.139909
Nuclear repulsion energy	26.137971

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.510
C2	0.000	0.000	-1.190

	Si1	C2
Si1		1.7006
C2	1.7006

	hartrees
Energy at 0K	-327.181358
Energy at 298.15K	-327.179634
HF Energy	-327.074679
Nuclear repulsion energy	26.869297

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

using model chemistry: B2PLYP=FULL/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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	Si1	C2
Si1		1.6543
C2	1.6543

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)