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	hartrees
Energy at 0K	-714.692166
Energy at 298.15K	-714.691174
HF Energy	-714.509298
Nuclear repulsion energy	27.335748

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.536
C2	0.000	0.000	-1.787

	Ca1	C2
Ca1		2.3230
C2	2.3230

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

using model chemistry: MP3=FULL/cc-pVDZ

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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