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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	-357.484713
Energy at 298.15K	-357.489653
HF Energy	-356.537259
Nuclear repulsion energy	231.422868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3771	3556	92.00
2	A'	3683	3473	89.65
3	A'	3630	3423	88.57
4	A'	1839	1734	116.51
5	A'	1814	1711	351.19
6	A'	1635	1542	112.61
7	A'	1471	1387	17.18
8	A'	1352	1275	61.74
9	A'	1209	1140	293.41
10	A'	1113	1049	3.55
11	A'	794	749	6.26
12	A'	608	574	74.43
13	A'	537	506	0.27
14	A'	422	398	4.27
15	A'	276	260	13.84
16	A"	805	759	7.30
17	A"	696	656	159.69
18	A"	643	607	6.35
19	A"	429	404	3.62
20	A"	274	258	292.00
21	A"	56	52	0.02

Atom	x (Å)	y (Å)
C1	0.000	0.751
C2	-0.052	-0.785
O3	-1.101	-1.417
O4	1.041	1.390
O5	-1.231	1.282
N6	1.202	-1.300
H7	1.321	-2.303
H8	2.005	-0.686
H9	-1.103	2.254

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5370	2.4316	1.2222	1.3406	2.3768	3.3270	2.4661	1.8641
C2	1.5370		1.2246	2.4352	2.3799	1.3557	2.0467	2.0592	3.2155
O3	2.4316	1.2246		3.5319	2.7028	2.3063	2.5793	3.1907	3.6710
O4	1.2222	2.4352	3.5319		2.2746	2.6950	3.7038	2.2889	2.3114
O5	1.3406	2.3799	2.7028	2.2746		3.5476	4.4006	3.7868	0.9797
N6	2.3768	1.3557	2.3063	2.6950	3.5476		1.0100	1.0103	4.2355
H7	3.3270	2.0467	2.5793	3.7038	4.4006	1.0100		1.7552	5.1611
H8	2.4661	2.0592	3.1907	2.2889	3.7868	1.0103	1.7552		4.2774
H9	1.8641	3.2155	3.6710	2.3114	0.9797	4.2355	5.1611	4.2774

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

using model chemistry: MP2/6-31G*

States and conformations

Conformer 1 (H out)

Conformer 2 (H in)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.016	C1	C2	N6	110.347
C1	O5	H9	105.868	C2	C1	O4	123.515
C2	C1	O5	111.417	C2	N6	H7	119.079
C2	N6	H8	120.288	O3	C2	N6	126.637
O4	C1	O5	125.068	H7	N6	H8	120.634

	hartrees
Energy at 0K	-357.490199
Energy at 298.15K	-357.495430
HF Energy	-356.541644
Nuclear repulsion energy	232.807750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3759	3545	101.72
2	A'	3619	3413	104.40
3	A'	3548	3346	140.55
4	A'	1858	1752	177.77
5	A'	1825	1721	244.39
6	A'	1634	1541	66.48
7	A'	1488	1403	202.06
8	A'	1377	1299	387.14
9	A'	1237	1166	6.74
10	A'	1117	1053	4.42
11	A'	816	769	12.09
12	A'	627	592	12.52
13	A'	553	521	2.16
14	A'	417	393	7.22
15	A'	285	269	39.49
16	A"	791	746	18.93
17	A"	749	706	109.15
18	A"	670	631	6.59
19	A"	452	426	95.34
20	A"	354	334	219.43
21	A"	113	106	2.39

Atom	x (Å)	y (Å)
C1	0.009	-0.793
C2	0.000	0.747
O3	-1.077	1.354
O4	1.028	-1.457
O5	-1.233	-1.288
N6	1.234	1.278
H7	1.355	2.282
H8	2.035	0.661
H9	-1.829	-0.500

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5400	2.4055	1.2168	1.3365	2.4062	3.3563	2.4940	1.8607
C2	1.5400		1.2359	2.4321	2.3793	1.3431	2.0472	2.0371	2.2140
O3	2.4055	1.2359		3.5116	2.6463	2.3117	2.6029	3.1883	2.0012
O4	1.2168	2.4321	3.5116		2.2674	2.7427	3.7525	2.3447	3.0131
O5	1.3365	2.3793	2.6463	2.2674		3.5592	4.4089	3.8049	0.9876
N6	2.4062	1.3431	2.3117	2.7427	3.5592		1.0106	1.0118	3.5417
H7	3.3563	2.0472	2.6029	3.7525	4.4089	1.0106		1.7576	4.2284
H8	2.4940	2.0371	3.1883	2.3447	3.8049	1.0118	1.7576		4.0349
H9	1.8607	2.2140	2.0012	3.0131	0.9876	3.5417	4.2284	4.0349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	119.720	C1	C2	N6	112.966
C1	O5	H9	105.394	C2	C1	O4	123.389
C2	C1	O5	111.419	C2	N6	H7	120.199
C2	N6	H8	119.106	O3	C2	N6	127.314
O4	C1	O5	125.192	H7	N6	H8	120.695

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

using model chemistry: MP2/6-31G*

States and conformations

Conformer 1 (H out)

Conformer 2 (H in)

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