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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	-357.727842
Energy at 298.15K	-357.732877
HF Energy	-356.583380
Nuclear repulsion energy	232.785847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3808	3597	100.69
2	A'	3781	3571	90.95
3	A'	3655	3453	83.24
4	A'	1839	1737	142.15
5	A'	1819	1718	324.34
6	A'	1603	1514	112.09
7	A'	1456	1376	23.18
8	A'	1336	1261	56.02
9	A'	1197	1130	270.17
10	A'	1098	1037	2.81
11	A'	792	748	7.28
12	A'	609	575	69.96
13	A'	533	504	0.13
14	A'	419	395	4.08
15	A'	272	257	14.08
16	A"	844	797	4.73
17	A"	695	656	118.92
18	A"	652	616	17.05
19	A"	441	417	4.25
20	A"	293	277	210.44
21	A"	70	66	1.31

Atom	x (Å)	y (Å)
C1	0.000	0.749
C2	-0.054	-0.785
O3	-1.095	-1.411
O4	1.034	1.382
O5	-1.223	1.277
N6	1.198	-1.294
H7	1.325	-2.290
H8	1.984	-0.668
H9	-1.092	2.237

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5344	2.4212	1.2121	1.3324	2.3678	3.3152	2.4377	1.8460
C2	1.5344		1.2148	2.4243	2.3702	1.3511	2.0413	2.0411	3.1952
O3	2.4212	1.2148		3.5115	2.6907	2.2955	2.5744	3.1672	3.6479
O4	1.2121	2.4243	3.5115		2.2592	2.6810	3.6839	2.2595	2.2911
O5	1.3324	2.3702	2.6907	2.2592		3.5312	4.3836	3.7507	0.9692
N6	2.3678	1.3511	2.2955	2.6810	3.5312		1.0046	1.0050	4.2084
H7	3.3152	2.0413	2.5744	3.6839	4.3836	1.0046		1.7513	5.1321
H8	2.4377	2.0411	3.1672	2.2595	3.7507	1.0050	1.7513		4.2309
H9	1.8460	3.1952	3.6479	2.2911	0.9692	4.2084	5.1321	4.2309

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

using model chemistry: MP2/6-31G(2df,p)

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	123.031	C1	C2	N6	110.126
C1	O5	H9	105.571	C2	C1	O4	123.511
C2	C1	O5	111.342	C2	N6	H7	119.397
C2	N6	H8	119.339	O3	C2	N6	126.843
O4	C1	O5	125.147	H7	N6	H8	121.264

	hartrees
Energy at 0K	-357.734955
Energy at 298.15K	-357.740282
Nuclear repulsion energy	234.345068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3796	3585	108.87
2	A'	3644	3442	103.99
3	A'	3615	3415	144.10
4	A'	1866	1762	209.93
5	A'	1824	1723	222.77
6	A'	1606	1517	67.32
7	A'	1474	1392	217.44
8	A'	1366	1290	324.42
9	A'	1235	1166	6.57
10	A'	1105	1043	3.38
11	A'	818	772	10.11
12	A'	631	596	11.64
13	A'	551	520	1.97
14	A'	412	390	7.76
15	A'	282	266	41.10
16	A"	840	793	0.40
17	A"	779	736	92.23
18	A"	683	645	2.44
19	A"	472	446	82.47
20	A"	365	345	152.31
21	A"	121	115	3.96

Atom	x (Å)	y (Å)
C1	0.006	-0.790
C2	0.000	0.745
O3	-1.068	1.346
O4	1.016	-1.451
O5	-1.230	-1.271
N6	1.233	1.265
H7	1.367	2.261
H8	2.015	0.631
H9	-1.796	-0.473

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5346	2.3904	1.2075	1.3270	2.3936	3.3409	2.4607	1.8300
C2	1.5346		1.2254	2.4199	2.3621	1.3387	2.0419	2.0184	2.1707
O3	2.3904	1.2254		3.4882	2.6222	2.3028	2.6019	3.1649	1.9598
O4	1.2075	2.4199	3.4882		2.2539	2.7251	3.7290	2.3095	2.9777
O5	1.3270	2.3621	2.6222	2.2539		3.5362	4.3850	3.7621	0.9781
N6	2.3936	1.3387	2.3028	2.7251	3.5362		1.0049	1.0066	3.4933
H7	3.3409	2.0419	2.6019	3.7290	4.3850	1.0049		1.7540	4.1820
H8	2.4607	2.0184	3.1649	2.3095	3.7621	1.0066	1.7540		3.9684
H9	1.8300	2.1707	1.9598	2.9777	0.9781	3.4933	4.1820	3.9684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	119.591	C1	C2	N6	112.645
C1	O5	H9	104.072	C2	C1	O4	123.447
C2	C1	O5	111.052	C2	N6	H7	120.543
C2	N6	H8	118.078	O3	C2	N6	127.764
O4	C1	O5	125.501	H7	N6	H8	121.379

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

using model chemistry: MP2/6-31G(2df,p)

States and conformations

Conformer 1 (H out)

Conformer 2 (H in)

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