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	hartrees
Energy at 0K	-1137.983766
Energy at 298.15K	-1137.984013
HF Energy	-1137.983766
Nuclear repulsion energy	73.960270

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.118
Cl2	0.000	0.000	-1.315

	Ca1	Cl2
Ca1		2.4327
Cl2	2.4327

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.756
2	Cl	-0.756

	x	y	z	Total
	0.000	0.000	3.472	3.472
CHELPG
AIM
ESP

All results from a given calculation for CaCl (calcium monochloride)

using model chemistry: B97D3/6-311+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>	75.441
(<r²>)^1/2	8.686