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	hartrees
Energy at 0K	-280.174026
Energy at 298.15K	-280.172688
HF Energy	-280.122780
Nuclear repulsion energy	21.076472

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.618
C2	0.000	0.000	-1.340

	Al1	C2
Al1		1.9584
C2	1.9584

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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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