CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-74.60	0.30	kJ mol^-1	Gurvich
Hfg(0K)	-66.63	0.30	kJ mol^-1	Gurvich
Entropy (298.15K)	186.37		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	10.02		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	35.69		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	A₁	2917		Shim					sym stretch
2	E	1534		Shim					deg. deform
3	T₂	3019		1982vibint	69.7	2.1	1982vibint		deg. stretch
4	T₂	1306		1982vibint	33.4	1.0	1982vibint		deg. deform

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.087	0.001	1	2			1979Hir:213	re
aHCH	109.471		2	1	3		1974sve/kov

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	0.0000
H2	0.6276	0.6276	0.6276
H3	0.6276	-0.6276	-0.6276
H4	-0.6276	0.6276	-0.6276
H5	-0.6276	-0.6276	0.6276

	C1	H2	H3	H4	H5
C1		1.0870	1.0870	1.0870	1.0870
H2	1.0870		1.7751	1.7751	1.7751
H3	1.0870	1.7751		1.7751	1.7751
H4	1.0870	1.7751	1.7751		1.7751
H5	1.0870	1.7751	1.7751	1.7751

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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	¹A₁	T_d	True				0.000	NSRDS-NBS10		T_d	0	0

squib	reference	DOI
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
1974sve/kov	L.M. Sverdlov, M. A. Kovner, E. P. Krainov, "Vibrational Spectra of Polyatomic Molecules" Wiley, New York 1974
1979Hir:213	E Hirota "Anharmonic Potential Function and Equilibrium Structure of Methane" J. Mol. Spect. 77, 213-221 (1979)	10.1016/0022-2852(79)90103-6
1982vibint	"Vibrational Intensities in Infrared and Raman Spectroscopy" WB Person, G Zerbi, ed. Elsevier, Amsterdam, 1982
1997Oln/Can:59	TN Olney, NM Cann, G Cooper, CE Brion, Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules, Chem. Phys. 223 (1997) 59-98	10.1016/S0301-0104(97)00145-6
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH4+ (Methane cation)

Experimental data for CH₄⁺ (Methane cation)