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	hartrees
Energy at 0K	-714.789714
Energy at 298.15K	-714.788721
HF Energy	-714.500438
Nuclear repulsion energy	27.238191

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.538
C2	0.000	0.000	-1.793

	Ca1	C2
Ca1		2.3313
C2	2.3313

All results from a given calculation for CaC (Calcium monocarbide)

using model chemistry: CCSD/6-311G*

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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