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	hartrees
Energy at 0K	-715.209352
Energy at 298.15K	-715.208300
HF Energy	-715.209352
Nuclear repulsion energy	25.615661

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.572
C2	0.000	0.000	-1.907

	Ca1	C2
Ca1		2.4790
C2	2.4790

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.554
2	C	-0.554

	x	y	z	Total
	0.000	0.000	3.845	3.845
CHELPG
AIM
ESP

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

using model chemistry: HSEh1PBE/6-31G

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>	46.857
(<r²>)^1/2	6.845