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	hartrees
Energy at 0K	-45.333604
Energy at 298.15K	-45.332329
HF Energy	-45.196292
Nuclear repulsion energy	5.095861

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.246
C2	0.000	0.000	0.623

	Li1	C2
Li1		1.8692
C2	1.8692

All results from a given calculation for LiC (Lithium Carbide)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

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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