CCCBDB listing of experimental data page 2

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Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.495	0.006	1	2			1987Kuchitsu(II/15)
rCO	1.349	0.006	2	3			1987Kuchitsu(II/15)
rCO	1.210	0.006	2	4			1987Kuchitsu(II/15)
rCH	1.097	0.003	1	6			1987Kuchitsu(II/15)
rCO	1.406	0.004	1	5			1987Kuchitsu(II/15)
rOH	0.989	0.019	3	9			1987Kuchitsu(II/15)
rOH	0.956	0.003	5	8			1987Kuchitsu(II/15)
aCCO	112.6	0.5	1	2	3		1987Kuchitsu(II/15)
aCCO	124.2	0.4	1	2	4		1987Kuchitsu(II/15)
aCCO	111.3	0.4	2	1	5		1987Kuchitsu(II/15)
aHCC	108.8	0.3	2	1	6		1987Kuchitsu(II/15)
aHCO	110.6	0.3	5	1	6		1987Kuchitsu(II/15)
aHOC	105.5	1.1	2	3	9		1987Kuchitsu(II/15)
aHOC	105.2	0.1	1	5	8		1987Kuchitsu(II/15)
dHOCO	0		4	2	3	9	1987Kuchitsu(II/15)
dOCCO	0		4	2	1	5	1987Kuchitsu(II/15)
dHOCC	0		2	1	5	8	1987Kuchitsu(II/15)

Bond Type	Count
C-C	1
H-C	2
C-O	2
C=O	1
H-O	2

Atom 1	Atom 2
C1	C2
C1	O5
C1	H6
C1	H7
C2	O3
C2	O4
O3	H9
O5	H8

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							C_s	2	3
1	2	¹A	C₁	False							C₁	3	5

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
1	2	¹A	C₁	False						C₁	3	5

	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
1987Kuchitsu(II/15)	Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for HOCH2COOH (Hydroxyacetic acid)

Experimental data for HOCH₂COOH (Hydroxyacetic acid)