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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	-326.808687
Energy at 298.15K	-326.806926
HF Energy	-326.628075
Nuclear repulsion energy	25.662376

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.520
C2	0.000	0.000	-1.212

	Si1	C2
Si1		1.7320
C2	1.7320

	hartrees
Energy at 0K	-326.800575
Energy at 298.15K	-326.798830
HF Energy	-326.513883
Nuclear repulsion energy	25.952646

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

using model chemistry: MP4=FULL/aug-cc-pVDZ

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		1.7126
C2	1.7126

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

using model chemistry: MP4=FULL/aug-cc-pVDZ

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)