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State	Conformation	minimum conformation	conformer description	state description
1	1	no	H out	¹A^'
1	2	yes	H in	¹A^'

	hartrees
Energy at 0K	-358.374427
Energy at 298.15K	-358.379507
HF Energy	-358.374427
Nuclear repulsion energy	232.439511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3843	3661	99.35
2	A'	3784	3605	95.21
3	A'	3638	3466	70.98
4	A'	1863	1775	11.87
5	A'	1847	1759	712.91
6	A'	1609	1532	119.55
7	A'	1456	1387	31.85
8	A'	1339	1275	98.72
9	A'	1214	1156	264.19
10	A'	1097	1045	3.84
11	A'	790	753	11.11
12	A'	617	588	75.45
13	A'	533	507	0.16
14	A'	410	390	3.45
15	A'	260	248	17.48
16	A"	832	793	6.38
17	A"	673	641	137.76
18	A"	627	597	30.71
19	A"	447	426	38.50
20	A"	372	354	202.28
21	A"	63	60	5.58

All results from a given calculation for C₂H₃NO₃ (Oxamic acid)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

Conformer 1 (H out)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C2H3NO3 (Oxamic acid)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

Conformer 1 (H out)

All results from a given calculation for C₂H₃NO₃ (Oxamic acid)