CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	38.01	10.00	kJ mol^-1	Gurvich
Hfg(0K)	39.13	10.00	kJ mol^-1	Gurvich
Entropy (298.15K)	219.72		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	8.95		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	32.45		J K^-1 mol^-1	Gurvich

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	723	732	1979HUB/HER				omexe=4.8

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rOCa	1.822		1	2			1979HUB/HER	re

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.0000	0.0000	0.0000
O2	0.0000	0.0000	1.8221

	Ca1	O2
Ca1		1.8221
O2	1.8221

	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 CaO (Calcium monoxide)