CCCBDB listing of experimental data page 2

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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'	2975		2013Pan/Deo:205				CH3 Asym str
2	A'	2975		2013Pan/Deo:205				CH3 Asym str
3	A'	2918		2013Pan/Deo:205				CH3 sym str
4	A'	2288						PH str
5	A'	1447						CH3 asym def
6	A'	1434						CH3 asym def
7	A'	1297						CH3 sym def
8	A'	1007						PH ip bend
9	A'	986						CH3 rock
10	A'	714						CH3 wag
11	A'	660						PC2 sym str
12	A'	261						PC2 deform
13	A'	191						CH3 torsion
14	A"	2985						CH3 aym str
15	A"	2985						CH3 aym str
16	A"	2923						CH3 sym str
17	A"	1443						CH3 asym def
18	A"	1423						CH3 aysm def
19	A"	1284						CH3 sym def
20	A"	1012						PH oop bend
21	A"	818						CH3 rock
22	A"	725						CH3 wag
23	A"	703						PC2 asym str
24	A"	184						CH3 torsion

Bond Type	Count
H-C	6
H-P	1
C-P	2

Atom 1	Atom 2
P1	H2
P1	C3
P1	C4
C3	H5
C3	H7
C3	H9
C4	H6
C4	H8
C4	H10

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		1.150	0.440	1.230	1963Nel:2382	y=b, z=c	C_s	2	3

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A^'	C_s	True						C_s	2	3

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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squib	reference	DOI
1963Nel:2382	R Nelson "Microwave Spectrum, Molecular Structure, and Dipole Moment if Dimethylphosphine" J. Chem. Phys. 39(9) 2382, 1963	10.1063/1.1701456
2013Pan/Deo:205	SS Panikar, BS Deodhar, DK Sawant, JJ Klassen, J Deng, JR Durig "Raman and infrared spectra, r0 structural parameters, and vibrational assignements of (CH3)2PX where X=H, CN, and Cl" Spectrochimica Acta Part A: Molecular and Biomolecular Spectrsocopy 103 (2013) 205-215	10.1016/j.saa.2012.10.032
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH3PHCH3 (dimethylphosphine)

Experimental data for CH₃PHCH₃ (dimethylphosphine)