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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	-327.358862
Energy at 298.15K	-327.357130
HF Energy	-327.358862
Nuclear repulsion energy	26.006264

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.513
C2	0.000	0.000	-1.196

	Si1	C2
Si1		1.7092
C2	1.7092

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Si	0.169
2	C	-0.169

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

using model chemistry: M06-2X/cc-pVTZ

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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-327.313538
Energy at 298.15K	-327.311821
HF Energy	-327.313538
Nuclear repulsion energy	27.051834

<r²>	24.253
(<r²>)^1/2	4.925

	Si1	C2
Si1		1.6432
C2	1.6432

<r²>	22.848
(<r²>)^1/2	4.780

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)