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	hartrees
Energy at 0K	-278.667204
Energy at 298.15K	-278.665865
HF Energy	-278.640476
Nuclear repulsion energy	20.872712

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.624
C2	0.000	0.000	-1.353

	Al1	C2
Al1		1.9775
C2	1.9775

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.313
2	C	-0.313

	x	y	z	Total
	0.000	0.000	1.065	1.065
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/3-21G*

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>	28.350
(<r²>)^1/2	5.324