CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	21.00	2.10	kJ mol^-1	2005Rus/Bog:573
Hfg(0K)	28.40	2.10	kJ mol^-1	2005Rus/Bog:573
Entropy (298.15K)	234.28		J K^-1 mol^-1	2005Rus/Bog:573
Integrated Heat Capacity (0 to 298.15K)	10.72		kJ mol^-1	2005Rus/Bog:573
Heat Capacity (298.15K)	42.54		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	A₁	2840		VEEL5
2	A₁	1412		VEEL5
3	A₁	1047		VEEL5
4	E	2758		VEEL5
6	E	914		VEEL5
8	E	652		VEEL5

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCO	1.405		1	2			1982Jackels:505
rCH	1.112		1	3			1982Jackels:505
aHCO	111.3		2	1	3		1982Jackels:505
aHCH	107.58		3	1	4		1982Jackels:505	by symmetry

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	-0.5899
O2	0.0000	0.0000	0.8151
H3	0.0000	1.0360	-0.9938
H4	0.8972	-0.5180	-0.9938
H5	-0.8972	-0.5180	-0.9938

	C1	O2	H3	H4	H5
C1		1.4050	1.1120	1.1120	1.1120
O2	1.4050		2.0846	2.0846	2.0846
H3	1.1120	2.0846		1.7945	1.7945
H4	1.1120	2.0846	1.7945		1.7945
H5	1.1120	2.0846	1.7945	1.7945

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	H3	111.300	O2	C1	H4	111.300
O2	C1	H5	111.300	H3	C1	H4	107.582
H3	C1	H5	107.582	H4	C1	H5	107.582

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	²A^'	C₁	True							C₁	3	5

Bond Type	Count
C-O	1
H-C	3

Experimental data for CH3O+ (Methoxy cation)

Experimental data for CH₃O⁺ (Methoxy cation)