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	hartrees
Energy at 0K	-6.103748
Energy at 298.15K	-6.102670
HF Energy	-6.103748
Nuclear repulsion energy	1.705071

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.573
C2	0.000	0.000	-1.910

	Ca1	C2
Ca1		2.4828
C2	2.4828

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.649
2	C	-0.649

	x	y	z	Total
	0.000	0.000	4.328	4.328
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/CEP-31G

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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<r²>	30.148
(<r²>)^1/2	5.491