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	3001						11
2	A	2955		1990Dur/Pha:459
3	A	2831						2
4	A	1753						3
5	A	1417						4
6	A	1378						5
7	A	1243						6
8	A	1163						12
9	A	1036						7
10	A	1020						13
11	A	806						14
12	A	742						8
13	A	464						9
14	A	292						10
15	A	27						15

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rHC	1.093	0.012	1	5			1983Dyn/Sch:45
rCO	1.206	0.003	2	4			1983Dyn/Sch:45
rCCl	1.782	0.004	1	3			1983Dyn/Sch:45
rCC	1.521	0.005	1	2			1983Dyn/Sch:45
aCCO	123.3	0.6	1	2	4		1983Dyn/Sch:45
aCCH	112.4	3.8	1	2	7		1983Dyn/Sch:45
aCCCl	110.4	0.3	2	1	3
aCCH	110.3	1.5	2	1	5		1983Dyn/Sch:45
aHCH	109.5		5	1	6		1983Dyn/Sch:45	!assumed
dOCCCl	180		3	1	2	4	1983Dyn/Sch:45	!assumed

Bond Type	Count
C-C	1
H-C	3
C=O	1
C-Cl	1

Atom 1	Atom 2
C1	C2
C1	Cl3
C1	H5
C1	H6
C2	O4
C2	H7

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	C1 bisecting, trans	True							C₁	3	5
1	2	¹A^'	CS eclipsed, cis	False							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 CH2ClCHO (chloroacetaldehyde)

Experimental data for CH₂ClCHO (chloroacetaldehyde)