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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	-355.097855
Energy at 298.15K	-355.103330
Nuclear repulsion energy	231.394939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3802	3542	76.30
2	A'	3695	3442	54.66
3	A'	3673	3422	77.53
4	A'	1874	1746	40.49
5	A'	1854	1727	384.07
6	A'	1741	1622	158.56
7	A'	1484	1382	10.65
8	A'	1385	1290	96.91
9	A'	1197	1115	266.50
10	A'	1161	1082	71.25
11	A'	782	728	6.99
12	A'	638	594	76.24
13	A'	559	521	2.46
14	A'	442	412	8.67
15	A'	282	263	12.41
16	A"	880	820	0.66
17	A"	682	635	493.94
18	A"	640	596	93.98
19	A"	618	575	16.01
20	A"	450	419	38.78
21	A"	112	104	5.72

Atom	x (Å)	y (Å)
C1	0.000	0.743
C2	-0.049	-0.789
O3	-1.092	-1.428
O4	1.037	1.385
O5	-1.239	1.286
N6	1.211	-1.285
H7	1.359	-2.278
H8	1.994	-0.655
H9	-1.183	2.266

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5329	2.4308	1.2190	1.3522	2.3623	3.3132	2.4355	1.9288
C2	1.5329		1.2239	2.4295	2.3915	1.3542	2.0495	2.0474	3.2592
O3	2.4308	1.2239		3.5277	2.7178	2.3081	2.5946	3.1821	3.6959
O4	1.2190	2.4295	3.5277		2.2774	2.6753	3.6773	2.2532	2.3884
O5	1.3522	2.3915	2.7178	2.2774		3.5510	4.4102	3.7706	0.9825
N6	2.3623	1.3542	2.3081	2.6753	3.5510		1.0045	1.0050	4.2832
H7	3.3132	2.0495	2.5946	3.6773	4.4102	1.0045		1.7435	5.2076
H8	2.4355	2.0474	3.1821	2.2532	3.7706	1.0050	1.7435		4.3163
H9	1.9288	3.2592	3.6959	2.3884	0.9825	4.2832	5.2076	4.3163

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

using model chemistry: CID/3-21G

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	123.317	C1	C2	N6	109.665
C1	O5	H9	110.403	C2	C1	O4	123.575
C2	C1	O5	111.822	C2	N6	H7	119.941
C2	N6	H8	119.691	O3	C2	N6	127.019
O4	C1	O5	124.603	H7	N6	H8	120.368

	hartrees
Energy at 0K	-355.103241
Energy at 298.15K	-355.108913
Nuclear repulsion energy	232.719797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3784	3525	84.64
2	A'	3657	3407	91.93
3	A'	3607	3360	109.17
4	A'	1919	1787	146.06
5	A'	1841	1715	276.70
6	A'	1741	1622	92.67
7	A'	1469	1368	53.56
8	A'	1378	1284	580.56
9	A'	1246	1161	25.57
10	A'	1174	1093	0.49
11	A'	798	744	13.34
12	A'	658	613	12.70
13	A'	579	540	2.05
14	A'	433	404	5.50
15	A'	289	269	45.63
16	A"	867	808	10.08
17	A"	735	685	315.41
18	A"	700	652	283.29
19	A"	670	624	14.08
20	A"	470	438	0.03
21	A"	154	143	7.52

Atom	x (Å)	y (Å)
C1	0.021	-0.786
C2	0.000	0.752
O3	-1.090	1.335
O4	1.042	-1.442
O5	-1.230	-1.293
N6	1.227	1.285
H7	1.357	2.282
H8	2.024	0.669
H9	-1.873	-0.542

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5382	2.3941	1.2139	1.3495	2.3972	3.3467	2.4763	1.9090
C2	1.5382		1.2361	2.4285	2.3859	1.3383	2.0452	2.0259	2.2760
O3	2.3941	1.2361		3.5007	2.6309	2.3179	2.6240	3.1845	2.0332
O4	1.2139	2.4285	3.5007		2.2776	2.7329	3.7368	2.3278	3.0508
O5	1.3495	2.3859	2.6309	2.2776		3.5615	4.4126	3.7999	0.9880
N6	2.3972	1.3383	2.3179	2.7329	3.5615		1.0053	1.0071	3.5984
H7	3.3467	2.0452	2.6240	3.7368	4.4126	1.0053		1.7455	4.2901
H8	2.4763	2.0259	3.1845	2.3278	3.7999	1.0071	1.7455		4.0807
H9	1.9090	2.2760	2.0332	3.0508	0.9880	3.5984	4.2901	4.0807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	118.905	C1	C2	N6	112.718
C1	O5	H9	108.521	C2	C1	O4	123.440
C2	C1	O5	111.267	C2	N6	H7	120.892
C2	N6	H8	118.806	O3	C2	N6	128.378
O4	C1	O5	125.293	H7	N6	H8	120.303

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

using model chemistry: CID/3-21G

States and conformations

Conformer 1 (H out)

Conformer 2 (H in)

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