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	hartrees
Energy at 0K	-280.355382
Energy at 298.15K	-280.354034
HF Energy	-280.355382
Nuclear repulsion energy	20.933020

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.623
C2	0.000	0.000	-1.349

	Al1	C2
Al1		1.9718
C2	1.9718

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.282
2	C	-0.282

	x	y	z	Total
	0.000	0.000	1.903	1.903
CHELPG
AIM
ESP

All results from a given calculation for AlC (Aluminum carbide)

using model chemistry: B1B95/aug-cc-pVTZ

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>	28.198
(<r²>)^1/2	5.310