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	hartrees
Energy at 0K	-280.173043
Energy at 298.15K	-280.171684
HF Energy	-280.173043
Nuclear repulsion energy	20.701709

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.630
C2	0.000	0.000	-1.364

	Al1	C2
Al1		1.9938
C2	1.9938

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.384
2	C	-0.384

	x	y	z	Total
	0.000	0.000	1.896	1.896
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

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>	28.653
(<r²>)^1/2	5.353