CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-104.60	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	241.50	J K^-1 mol^-1	webbook

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	Σ		368	webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rClCa	2.437		1	2			NISTdiatomic	re

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.0000	0.0000	0.0000
Cl2	0.0000	0.0000	2.4368

	Ca1	Cl2
Ca1		2.4368
Cl2	2.4368

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	²Σ	C_∞v	True				4.265	NISTdiatomic	± 0.02	C_∞v	1	1

squib	reference	DOI
NISTdiatomic	NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html)	10.18434/T4T59X
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CaCl (calcium monochloride)