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	hartrees
Energy at 0K	-714.653118
Energy at 298.15K	-714.652124
HF Energy	-714.456890
Nuclear repulsion energy	26.886034

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.545
C2	0.000	0.000	-1.817

	Ca1	C2
Ca1		2.3619
C2	2.3619

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

using model chemistry: QCISD/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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