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	hartrees
Energy at 0K	-39.897473
Energy at 298.15K	-39.896086
HF Energy	-39.897473
Nuclear repulsion energy	4.671963

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.644
C2	0.000	0.000	-1.395

	Al1	C2
Al1		2.0388
C2	2.0388

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.477
2	C	-0.477

	x	y	z	Total
	0.000	0.000	2.105	2.105
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/LANL2DZ

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>	24.601
(<r²>)^1/2	4.960