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	hartrees
Energy at 0K	-715.568901
Energy at 298.15K	-715.567884
HF Energy	-715.568901
Nuclear repulsion energy	27.665886

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.530
C2	0.000	0.000	-1.766

	Ca1	C2
Ca1		2.2953
C2	2.2953

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.328
2	C	-0.328

	x	y	z	Total
	0.000	0.000	3.121	3.121
CHELPG
AIM
ESP

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

using model chemistry: B97D3/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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<r²>	41.910
(<r²>)^1/2	6.474