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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	-357.676021
Energy at 298.15K	-357.681042
HF Energy	-356.642710
Nuclear repulsion energy	232.141157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3812	3623	89.04
2	A	3782	3593	80.01
3	A	3639	3458	71.32
4	A	1830	1739	122.33
5	A	1810	1720	372.12
6	A	1615	1534	102.14
7	A	1448	1376	17.82
8	A	1336	1269	53.91
9	A	1203	1143	302.35
10	A	1101	1046	3.23
11	A	828	787	5.99
12	A	792	752	6.20
13	A	666	633	120.04
14	A	626	595	60.33
15	A	606	576	38.53
16	A	537	510	1.85
17	A	425	404	5.44
18	A	419	398	4.95
19	A	316	301	239.30
20	A	271	257	14.59
21	A	66	63	1.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.735	0.160	-0.003
C2	0.757	-0.221	-0.005
O3	1.145	-1.372	-0.048
O4	-1.132	1.306	-0.051
O5	-1.521	-0.918	0.047
N6	1.533	0.891	0.073
H7	2.528	0.785	-0.041
H8	1.104	1.795	-0.034
H9	-2.426	-0.575	0.035

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5399	2.4259	1.2129	1.3354	2.3847	3.3232	2.4614	1.8440
C2	1.5399		1.2157	2.4287	2.3826	1.3580	2.0377	2.0458	3.2024
O3	2.4259	1.2157		3.5147	2.7057	2.2988	2.5627	3.1673	3.6594
O4	1.2129	2.4287	3.5147		2.2598	2.7005	3.6972	2.2896	2.2845
O5	1.3354	2.3826	2.7057	2.2598		3.5500	4.3939	3.7766	0.9678
N6	2.3847	1.3580	2.2988	2.7005	3.5500		1.0068	1.0068	4.2221
H7	3.3232	2.0377	2.5627	3.6972	4.3939	1.0068		1.7456	5.1382
H8	2.4614	2.0458	3.1673	2.2896	3.7766	1.0068	1.7456		4.2528
H9	1.8440	3.2024	3.6594	2.2845	0.9678	4.2221	5.1382	4.2528

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

using model chemistry: MP2/6-311G**

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	122.936	C1	C2	N6	110.596
C1	O5	H9	105.261	C2	C1	O4	123.401
C2	C1	O5	111.725	C2	N6	H7	118.250
C2	N6	H8	119.039	O3	C2	N6	126.459
O4	C1	O5	124.873	H7	N6	H8	120.204

	hartrees
Energy at 0K	-357.681440
Energy at 298.15K	-357.686456
Nuclear repulsion energy	233.638145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3780	3592	96.34
2	A'	3669	3486	155.28
3	A'	3635	3454	84.98
4	A'	1856	1764	203.30
5	A'	1816	1725	269.95
6	A'	1613	1533	62.22
7	A'	1467	1394	205.70
8	A'	1364	1296	330.06
9	A'	1225	1164	16.20
10	A'	1100	1045	2.73
11	A'	813	773	10.61
12	A'	635	603	13.18
13	A'	551	523	2.08
14	A'	408	387	6.75
15	A'	274	260	40.00
16	A"	820	779	2.35
17	A"	730	694	104.92
18	A"	657	625	6.11
19	A"	446	424	27.99
20	A"	217	206	215.51
21	A"	84	79	9.88

Atom	x (Å)	y (Å)
C1	0.007	-0.795
C2	0.000	0.747
O3	-1.069	1.348
O4	1.018	-1.456
O5	-1.231	-1.283
N6	1.233	1.280
H7	1.350	2.280
H8	2.029	0.662
H9	-1.799	-0.490

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5419	2.3978	1.2077	1.3311	2.4098	3.3551	2.4920	1.8321
C2	1.5419		1.2264	2.4266	2.3740	1.3434	2.0426	2.0309	2.1836
O3	2.3978	1.2264		3.4951	2.6355	2.3035	2.5928	3.1733	1.9775
O4	1.2077	2.4266	3.4951		2.2558	2.7440	3.7501	2.3466	2.9782
O5	1.3311	2.3740	2.6355	2.2558		3.5553	4.3994	3.7962	0.9753
N6	2.4098	1.3434	2.3035	2.7440	3.5553		1.0067	1.0076	3.5113
H7	3.3551	2.0426	2.5928	3.7501	4.3994	1.0067		1.7544	4.1942
H8	2.4920	2.0309	3.1733	2.3466	3.7962	1.0076	1.7544		3.9980
H9	1.8321	2.1836	1.9775	2.9782	0.9753	3.5113	4.1942	3.9980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	119.596	C1	C2	N6	113.098
C1	O5	H9	104.126	C2	C1	O4	123.445
C2	C1	O5	111.237	C2	N6	H7	120.041
C2	N6	H8	118.808	O3	C2	N6	127.306
O4	C1	O5	125.318	H7	N6	H8	121.151

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

using model chemistry: MP2/6-311G**

States and conformations

Conformer 1 (H out)

Conformer 2 (H in)

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