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	A₁	2992		1970Shi/Ohs:619
2	A₁	2920
3	A₁	1423
4	A₁	1284
5	A₁	954
6	A₁	589
7	A₁	233
8	A₂	2996
9	A₂	1424
10	A₂	890
12	B₁	2992						B1 and B2 switched
13	B₁	1423						B1 and B2 switched
14	B₁	908						B1 and B2 switched
16	B₂	2992						B1 and B2 switched
17	B₂	2920						B1 and B2 switched
18	B₂	1423						B1 and B2 switched
18	B₂	1263						B1 and B2 switched
20	B₂	857						B1 and B2 switched
21	B₂	604						B1 and B2 switched

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.093	0.005	2	4			1976Hellwege(II/7)
rCSe	1.943	0.003	1	2			1976Hellwege(II/7)
aHCSe	109.6	0.5	1	2	6		1976Hellwege(II/7)
aHCSe	106.7	0.5	1	2	4		1976Hellwege(II/7)
aHCH	110.3	0.5	6	2	7		1976Hellwege(II/7)

Bond Type	Count
H-C	6
C-Se	2

Atom 1	Atom 2
Se1	C2
Se1	C3
C2	H4
C2	H6
C2	H7
C3	H5
C3	H8
C3	H9

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	C_2v	True	0.000	0.000	1.410	1.410	1966Bee:414	± 0.02D	C_2v	1	2

	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
1966Bee:414	JF Beecher "Microwave Spectrum, Dipole Moment, Structure, and Internal Rotation of Dimethyl Selenide" J. Molecular Spectroscopy 4: 414-424 (1966)	10.1016/0022-2852(66)90165-2
1970Shi/Ohs:619	Y Shiro, M Ohsaku, M Hayashi, H Murata "Molecular Vibrations and Force Fields of Dimethyl Selenide and Dimethyl Selenide-d6" Bull. Chem. Soc. Japan 43, 619-622 (1970)	10.1246/bcsj.43.619
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.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH3SeCH3 (dimethylselenide)

Experimental data for CH₃SeCH₃ (dimethylselenide)