CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	341.64	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	257.19	J K^-1 mol^-1	webbook
Heat Capacity (298.15K)	36.61	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	63	65	webbook

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.0000	0.0000	0.0000
Ca2	0.0000	0.0000	4.2773

	Ca1	Ca2
Ca1		4.2773
Ca2	4.2773

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	¹Σ_g	D_∞h	True							D_∞h	0	1

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Experimental data for Ca2 (Calcium diatomic)

Experimental data for Ca₂ (Calcium diatomic)