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	hartrees
Energy at 0K	-279.824315
Energy at 298.15K	-279.822998
HF Energy	-279.667327
Nuclear repulsion energy	20.838936

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.625
C2	0.000	0.000	-1.355

	Al1	C2
Al1		1.9807
C2	1.9807

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

using model chemistry: CCD/aug-cc-pV(T+d)Z

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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