CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	134.20	2.00	kJ mol^-1	Gurvich
Hfg(0K)	133.51	2.00	kJ mol^-1	Gurvich
Entropy (298.15K)	236.14		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	10.67		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	44.97		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	2216		Shim					CN stretch
2	Σ	744		Shim					CCl stretch
3	Π	378		Shim					bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCN	1.161		2	3			1998Kuc	re value
rCCl	1.629		1	2			1998Kuc	re value

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.0000	0.0000	1.6290
C2	0.0000	0.0000	0.0000
N3	0.0000	0.0000	-1.1606

	Cl1	C2	N3
Cl1		1.6290	2.7896
C2	1.6290		1.1606
N3	2.7896	1.1606

	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 ClCN (chlorocyanogen)