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	hartrees
Energy at 0K	-711.673752
Energy at 298.15K	-711.672727
HF Energy	-711.658420
Nuclear repulsion energy	25.848917

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.567
C2	0.000	0.000	-1.890

	Ca1	C2
Ca1		2.4566
C2	2.4566

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

using model chemistry: B2PLYP=FULL/3-21G*

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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