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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	-357.033731
Energy at 298.15K	-357.038895
HF Energy	-356.358816
Nuclear repulsion energy	227.456282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3754	3592	68.36
2	A'	3608	3452	81.69
3	A'	3590	3435	63.44
4	A'	1726	1652	181.11
5	A'	1668	1596	116.34
6	A'	1648	1577	148.09
7	A'	1442	1379	1.74
8	A'	1341	1283	79.58
9	A'	1134	1085	220.42
10	A'	1106	1058	93.44
11	A'	765	732	1.18
12	A'	605	579	68.91
13	A'	532	509	2.04
14	A'	422	404	6.66
15	A'	277	265	12.21
16	A"	763	730	0.02
17	A"	658	630	338.53
18	A"	610	584	11.61
19	A"	566	541	267.49
20	A"	411	394	16.11
21	A"	69	66	6.07

Atom	x (Å)	y (Å)
C1	0.000	0.747
C2	-0.042	-0.784
O3	-1.117	-1.444
O4	1.065	1.414
O5	-1.255	1.311
N6	1.219	-1.324
H7	1.321	-2.329
H8	2.038	-0.731
H9	-1.181	2.295

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5312	2.4590	1.2569	1.3762	2.4028	3.3477	2.5173	1.9468
C2	1.5312		1.2617	2.4612	2.4211	1.3715	2.0604	2.0806	3.2824
O3	2.4590	1.2617		3.5959	2.7585	2.3391	2.5939	3.2348	3.7389
O4	1.2569	2.4612	3.5959		2.3222	2.7427	3.7525	2.3557	2.4120
O5	1.3762	2.4211	2.7585	2.3222		3.6145	4.4598	3.8748	0.9860
N6	2.4028	1.3715	2.3391	2.7427	3.6145		1.0105	1.0113	4.3419
H7	3.3477	2.0604	2.5939	3.7525	4.4598	1.0105		1.7520	5.2572
H8	2.5173	2.0806	3.2348	2.3557	3.8748	1.0113	1.7520		4.4174
H9	1.9468	3.2824	3.7389	2.4120	0.9860	4.3419	5.2572	4.4174

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	123.102	C1	C2	N6	111.620
C1	O5	H9	109.905	C2	C1	O4	123.656
C2	C1	O5	112.653	C2	N6	H7	118.983
C2	N6	H8	120.906	O3	C2	N6	125.278
O4	C1	O5	123.692	H7	N6	H8	120.110

	hartrees
Energy at 0K	-357.037327
Energy at 298.15K	-357.042633
Nuclear repulsion energy	228.547406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3742	3580	75.74
2	A'	3597	3442	96.43
3	A'	3512	3360	97.57
4	A'	1734	1659	212.73
5	A'	1711	1637	160.54
6	A'	1654	1583	9.71
7	A'	1430	1368	17.36
8	A'	1298	1242	517.24
9	A'	1180	1129	23.81
10	A'	1117	1068	1.27
11	A'	777	743	18.69
12	A'	616	589	10.37
13	A'	544	521	1.68
14	A'	415	397	5.17
15	A'	278	266	38.97
16	A"	733	701	32.39
17	A"	686	656	207.10
18	A"	630	603	160.56
19	A"	617	590	216.08
20	A"	413	396	2.32
21	A"	113	108	8.86

Atom	x (Å)	y (Å)
C1	0.024	-0.787
C2	0.000	0.751
O3	-1.116	1.360
O4	1.074	-1.464
O5	-1.235	-1.338
N6	1.230	1.326
H7	1.316	2.334
H8	2.060	0.746
H9	-1.912	-0.616

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5378	2.4307	1.2492	1.3745	2.4331	3.3774	2.5488	1.9439
C2	1.5378		1.2714	2.4613	2.4269	1.3581	2.0584	2.0602	2.3507
O3	2.4307	1.2714		3.5735	2.7011	2.3463	2.6193	3.2349	2.1306
O4	1.2492	2.4613	3.5735		2.3122	2.7946	3.8054	2.4203	3.1042
O5	1.3745	2.4269	2.7011	2.3122		3.6300	4.4711	3.8992	0.9902
N6	2.4331	1.3581	2.3463	2.7946	3.6300		1.0112	1.0126	3.6944
H7	3.3774	2.0584	2.6193	3.8054	4.4711	1.0112		1.7535	4.3729
H8	2.5488	2.0602	3.2349	2.4203	3.8992	1.0126	1.7535		4.1997
H9	1.9439	2.3507	2.1306	3.1042	0.9902	3.6944	4.3729	4.1997

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	119.527	C1	C2	N6	114.174
C1	O5	H9	109.504	C2	C1	O4	123.717
C2	C1	O5	112.764	C2	N6	H7	119.921
C2	N6	H8	119.986	O3	C2	N6	126.299
O4	C1	O5	123.519	H7	N6	H8	120.094

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)