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	hartrees
Energy at 0K	-715.438479
Energy at 298.15K	-715.437486
HF Energy	-715.438479
Nuclear repulsion energy	27.826378

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.527
C2	0.000	0.000	-1.755

	Ca1	C2
Ca1		2.2821
C2	2.2821

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.783
2	C	-0.783

	x	y	z	Total
	0.000	0.000	3.124	3.124
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/6-311+G(3df,2p)

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>	41.801
(<r²>)^1/2	6.465