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	hartrees
Energy at 0K	-714.433337
Energy at 298.15K	-714.431720
HF Energy	-714.433337
Nuclear repulsion energy	16.926201

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.866
C2	0.000	0.000	-2.886

	Ca1	C2
Ca1		3.7517
C2	3.7517

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.067
2	C	-0.067

	x	y	z	Total
	0.000	0.000	1.150	1.150
CHELPG
AIM
ESP

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

using model chemistry: ROHF/TZVP

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>	84.401
(<r²>)^1/2	9.187