CCCBDB listing of experimental data page 2

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Property	units	Reference
Hfg(298.15K)	kJ mol^-1	webbook
Hfg(0K)	kJ mol^-1	webbook
Entropy (298.15K)	J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)	kJ mol^-1

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	A'	3000		1974sve/kov
2	A'	2938		1974sve/kov
3	A'	2297		1974sve/kov
4	A'	1450		1974sve/kov
5	A'	1238		1974sve/kov
6	A'	1086		1974sve/kov
7	A'	977		1974sve/kov
8	A'	740		1974sve/kov
9	A'	677		1974sve/kov
10	A"	2992		1974sve/kov
11	A"	2312		1974sve/kov
12	A"	1450		1974sve/kov
13	A"	1017		1974sve/kov
15	A"	207		1974sve/kov

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCP	1.858		1	2			1976Hellwege(II/7)
rCH	1.094		1	3			1976Hellwege(II/7)
rPH	1.423		2	6			1976Hellwege(II/7)
aHCP	109.6		2	1	3		1976Hellwege(II/7)
aHPC	96.5		1	2	6		1976Hellwege(II/7)	!assumed

Bond Type	Count
H-C	3
H-P	2
C-P	1

Atom 1	Atom 2
C1	P2
C1	H3
C1	H4
C1	H5
P2	H6
P2	H7

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
You are here: Experimental > One molecule all properties

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	¹A^'	C_s	True				1.100	NSRDS-NBS10	MW	C_s	2	3

squib	reference	DOI
1974sve/kov	L.M. Sverdlov, M. A. Kovner, E. P. Krainov, "Vibrational Spectra of Polyatomic Molecules" Wiley, New York 1974
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH3PH2 (Methyl phosphine)

Experimental data for CH₃PH₂ (Methyl phosphine)