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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	-357.514595
Energy at 298.15K	-357.519555
HF Energy	-356.552544
Nuclear repulsion energy	231.588883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3841	3598	91.24
2	A'	3808	3566	83.27
3	A'	3687	3453	82.17
4	A'	1840	1723	123.03
5	A'	1815	1700	340.39
6	A'	1641	1537	107.17
7	A'	1469	1375	17.83
8	A'	1347	1262	72.12
9	A'	1201	1125	280.66
10	A'	1112	1041	3.41
11	A'	794	744	6.01
12	A'	608	569	74.39
13	A'	537	503	0.24
14	A'	421	395	4.30
15	A'	275	258	13.72
16	A"	802	751	7.22
17	A"	689	646	150.09
18	A"	641	600	8.04
19	A"	427	400	3.33
20	A"	281	263	268.71
21	A"	57	53	0.17

Atom	x (Å)	y (Å)
C1	0.000	0.749
C2	-0.051	-0.784
O3	-1.102	-1.415
O4	1.042	1.389
O5	-1.227	1.288
N6	1.199	-1.305
H7	1.309	-2.304
H8	1.998	-0.696
H9	-1.094	2.251

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5340	2.4289	1.2229	1.3405	2.3790	3.3222	2.4659	1.8575
C2	1.5340		1.2260	2.4324	2.3826	1.3546	2.0400	2.0511	3.2087
O3	2.4289	1.2260		3.5301	2.7062	2.3037	2.5699	3.1826	3.6660
O4	1.2229	2.4324	3.5301		2.2720	2.6989	3.7027	2.2934	2.3032
O5	1.3405	2.3826	2.7062	2.2720		3.5516	4.3975	3.7868	0.9719
N6	2.3790	1.3546	2.3037	2.6989	3.5516		1.0047	1.0051	4.2311
H7	3.3222	2.0400	2.5699	3.7027	4.3975	1.0047		1.7497	5.1497
H8	2.4659	2.0511	3.1826	2.2934	3.7868	1.0051	1.7497		4.2709
H9	1.8575	3.2087	3.6660	2.3032	0.9719	4.2311	5.1497	4.2709

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	122.906	C1	C2	N6	110.735
C1	O5	H9	105.778	C2	C1	O4	123.448
C2	C1	O5	111.786	C2	N6	H7	118.945
C2	N6	H8	120.011	O3	C2	N6	126.359
O4	C1	O5	124.766	H7	N6	H8	121.044

	hartrees
Energy at 0K	-357.520088
Energy at 298.15K	-357.525325
Nuclear repulsion energy	233.000902

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3830	3587	100.18
2	A'	3677	3443	113.34
3	A'	3665	3433	120.12
4	A'	1860	1742	172.10
5	A'	1828	1712	256.23
6	A'	1641	1537	66.04
7	A'	1481	1387	159.71
8	A'	1367	1281	407.39
9	A'	1234	1155	3.78
10	A'	1117	1046	3.84
11	A'	816	764	11.78
12	A'	628	588	13.00
13	A'	552	517	2.10
14	A'	412	386	6.68
15	A'	280	262	40.82
16	A"	788	738	15.86
17	A"	745	698	104.41
18	A"	668	625	6.14
19	A"	449	421	89.77
20	A"	359	336	200.72
21	A"	113	106	2.66

Atom	x (Å)	y (Å)
C1	0.009	-0.790
C2	0.000	0.745
O3	-1.079	1.349
O4	1.031	-1.454
O5	-1.230	-1.289
N6	1.231	1.282
H7	1.343	2.281
H8	2.028	0.668
H9	-1.817	-0.505

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5359	2.4004	1.2178	1.3361	2.4056	3.3487	2.4903	1.8483
C2	1.5359		1.2363	2.4288	2.3776	1.3426	2.0404	2.0294	2.2057
O3	2.4004	1.2363		3.5081	2.6428	2.3105	2.5955	3.1806	1.9958
O4	1.2178	2.4288	3.5081		2.2667	2.7433	3.7480	2.3445	3.0013
O5	1.3361	2.3776	2.6428	2.2667		3.5591	4.4012	3.8007	0.9793
N6	2.4056	1.3426	2.3105	2.7433	3.5591		1.0053	1.0065	3.5329
H7	3.3487	2.0404	2.5955	3.7480	4.4012	1.0053		1.7523	4.2132
H8	2.4903	2.0294	3.1806	2.3445	3.8007	1.0065	1.7523		4.0198
H9	1.8483	2.2057	1.9958	3.0013	0.9793	3.5329	4.2132	4.0198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	119.582	C1	C2	N6	113.214
C1	O5	H9	104.887	C2	C1	O4	123.359
C2	C1	O5	111.574	C2	N6	H7	120.015
C2	N6	H8	118.827	O3	C2	N6	127.205
O4	C1	O5	125.068	H7	N6	H8	121.158

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)