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	hartrees
Energy at 0K	-279.657135
Energy at 298.15K	-279.655793
HF Energy	-279.657135
Nuclear repulsion energy	20.815515

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

	Al1	C2
Al1		1.9829
C2	1.9829

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.374
2	C	-0.374

	x	y	z	Total
	0.000	0.000	1.068	1.068
CHELPG
AIM
ESP

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

using model chemistry: ROHF/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>	28.716
(<r²>)^1/2	5.359