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_g
2	A_g	1800		1992Nie/Ras:5303-5308
3	A_g	1423
4	A_g	1195
5	A_g	815
6	A_g
7	A_g	405
8	A_u	664
9	A_u	461
10	A_u
11	B_g
12	B_g
13	B_u	3472
14	B_u	1817
15	B_u	1329
16	B_u	1176
17	B_u
18	B_u	264

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.544	0.004	1	2			1976Hellwege(II/7)
rCO	1.205	0.002	1	5			1976Hellwege(II/7)
rCO	1.336	0.003	1	3			1976Hellwege(II/7)
aCCO	123.1	0.9	1	2	6		1976Hellwege(II/7)
aOCO	125	0.3	3	1	5		1976Hellwege(II/7)
aHOC	104.4	2.3	1	3	7		1976Hellwege(II/7)

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

Atom 1	Atom 2
C1	C2
C1	O3
C1	O5
C2	O4
C2	O6
O3	H7
O4	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_g	C_2h	True							C_2h	0	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
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.
1992Nie/Ras:5303-5308	J Nieminen, M Rasanen, J Murto "Matrix Isolation and ab initio Studies of Oxalic Acid" J. Phys. Chem. 96, 5305-5308	10.1021/j100192a024
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C2H2O4 (Oxalic Acid)

Experimental data for C₂H₂O₄ (Oxalic Acid)