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	hartrees
Energy at 0K	-326.629086
Energy at 298.15K	-326.627371
HF Energy	-326.629086
Nuclear repulsion energy	26.507570

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.503
C2	0.000	0.000	-1.174

	Si1	C2
Si1		1.6769
C2	1.6769

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Si	0.597
2	C	-0.597

	x	y	z	Total
	0.000	0.000	1.368	1.368
CHELPG
AIM
ESP

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

using model chemistry: ROHF/aug-cc-pVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	23.977
(<r²>)^1/2	4.897