CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	163.50	7.20	kJ mol^-1	webbook
Hfg(0K)		7.20	kJ 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	A₁	2966		webbook
2	A₁	2166
3	A₁	1429
4	A₁	945
5	E	3014
6	E	1467
7	E	1129
8	E	263

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.094		1	4			1987Kuchitsu(II/15)	CD3NC measured
rCN	1.426	0.003	1	2			1987Kuchitsu(II/15)	from CD3NC
rCN	1.166	0.003	2	3			1987Kuchitsu(II/15)	from CD3NC
aHCH	109.4	0.5	4	1	5		1987Kuchitsu(II/15)	from CD3NC
aHCN	109.6	0.5	2	1	4		1987Kuchitsu(II/15)	from CD3NC

	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 CH3NC (methyl isocyanide)

Experimental data for CH₃NC (methyl isocyanide)