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	hartrees
Energy at 0K	-327.345053
Energy at 298.15K	-327.343319
HF Energy	-327.345053
Nuclear repulsion energy	25.941194

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.514
C2	0.000	0.000	-1.199

	Si1	C2
Si1		1.7135
C2	1.7135

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Si	0.204
2	C	-0.204

	x	y	z	Total
	0.000	0.000	1.563	1.563
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/cc-pCVTZ

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>	24.222
(<r²>)^1/2	4.922