CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-552.30	2.20	kJ mol^-1	webbook
Hfg(0K)		2.20	kJ mol^-1	webbook
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1

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'	3340		1978Wal/Wag:589
2	A'	3229		1978Wal/Wag:589
3	A'	2600		1978Wal/Wag:589				hydrogen bonded
4	A'	1741		1978Wal/Wag:589
5	A'	1687		1978Wal/Wag:589
6	A'	1595		1978Wal/Wag:589
7	A'	1470		1978Wal/Wag:589
8	A'	1360		1978Wal/Wag:589
9	A'	1241		1978Wal/Wag:589
10	A'	1084		1978Wal/Wag:589
11	A'	831		1978Wal/Wag:589
12	A'	687		1978Wal/Wag:589
13	A'	556		1978Wal/Wag:589
14	A'	455		1978Wal/Wag:589
15	A'	328		1978Wal/Wag:589
16	A"	984		1978Wal/Wag:589
17	A"	815		1978Wal/Wag:589
18	A"	745		1978Wal/Wag:589
19	A"	481		1978Wal/Wag:589
20	A"	315		1978Wal/Wag:589
21	A"	162		1978Wal/Wag:589

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

Atom 1	Atom 2
C1	C2
C1	O4
C1	O5
C2	O3
C2	N6
O5	H9
N6	H7
N6	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^'	H out	False							C_s	2	3
1	2	¹A^'	H in	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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squib	reference	DOI
1978Wal/Wag:589	Wallace and Wagner. Infrared and far-infrared spectra of solid oxamic acid, deutero-oxamic acid and their salts. Spectrochimica Acta. Vol. 34A. pgs. 589-606.	10.1016/0584-8539(78)80058-0
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C2H3NO3 (Oxamic acid)

Experimental data for C₂H₃NO₃ (Oxamic acid)