CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	595.80	0.60	kJ mol^-1	2005Rus/Bog:573
Hfg(0K)	592.50	0.60	kJ mol^-1	2005Rus/Bog:573
Entropy (298.15K)	183.04		J K^-1 mol^-1	2005Rus/Bog:573
Integrated Heat Capacity (0 to 298.15K)	8.63		kJ mol^-1	2005Rus/Bog:573
Heat Capacity (298.15K)	29.17		J K^-1 mol^-1	2005Rus/Bog:573

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	2733	2861	2007Iri:389

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.120		1	2			1979HUB/HER	re

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	0.0000
H2	0.0000	0.0000	1.1199

	C1	H2
C1		1.1199
H2	1.1199

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Energy (cm^-1)	Degeneracy	reference	description
0	2	1979HUB/HER	²Π_1/2
27.95	2	1979HUB/HER	²Π_3/2
5844	4	1979HUB/HER	⁴Σ^-
23189.8	4	1979HUB/HER	²Δ

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	²Π_1/2	C_∞v	True				1.460	1966Phe/Dal:3-4	± 0.06	C_∞v	1	1
2	1	²Π_3/2	C_∞v	True							C_∞v	1	1
3	1	⁴Σ^-	C_∞v	True							C_∞v	1	1
4	1	²Δ	C_∞v	True							C_∞v	1	1

squib	reference	DOI
1966Phe/Dal:3-4	DH Phelps, FW Dalby "Experimental Determination of the Electric Dipole Moment of the Ground Electronic State of CH" Phys. Rev. Lett. 16(1), 1966, 3-4	10.1103/PhysRevLett.16.3
1979HUB/HER	Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979	10.1007/978-1-4757-0961-2
2005Rus/Bog:573	B Ruscic, JE Boggs, A Burcat, AG Csaszar, J Demaison, R Janoschek, JML Martin, ML Morton, MJ Rossi, JF Stanton, PG Szalay, PR Westmoreland, F Zabel, T Berces "IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I" J. Phys. Chem. Ref. Data, Vol. 34, No. 2, 2005, 573	10.1063/1.1724828
2007Iri:389	KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007	10.1063/1.2436891
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH (Methylidyne)