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	hartrees
Energy at 0K	-1132.173742
Energy at 298.15K	-1132.173921
HF Energy	-1132.173742
Nuclear repulsion energy	67.326138

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.228
Cl2	0.000	0.000	-1.445

	Ca1	Cl2
Ca1		2.6724
Cl2	2.6724

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.716
2	Cl	-0.716

	x	y	z	Total
	0.000	0.000	6.347	6.347
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/3-21G

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>	87.542
(<r²>)^1/2	9.356