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	hartrees
Energy at 0K	-280.364447
Energy at 298.15K	-280.363090
HF Energy	-280.364447
Nuclear repulsion energy	20.814131

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.626
C2	0.000	0.000	-1.357

	Al1	C2
Al1		1.9831
C2	1.9831

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.303
2	C	-0.303

	x	y	z	Total
	0.000	0.000	2.062	2.062
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/TZVP

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>	28.491
(<r²>)^1/2	5.338