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'	2987		webbook
2	A'	2967
3	A'	1822
4	A'	1767
5	A'	1381
6	A'	1359
7	A'	1105
8	A'	998
9	A'	776
10	A'	540
11	A'	260
12	A"	1067
14	A"	227

Bond Type	Count
C-O	2
C=O	2
H-C	2

Atom 1	Atom 2
O1	C2
O1	C3
C2	O4
C2	H6
C3	O5

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								C_2v	1	2
1	2	¹A^'	C_s	True							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	¹A₁	C_2v							C_2v	1	2
1	2	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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Experimental data for CHOOCHO (diformyl ether)