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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	-357.644137
Energy at 298.15K	-357.649132
HF Energy	-356.632428
Nuclear repulsion energy	232.861332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3825	3653	59.86
2	A	3802	3631	61.95
3	A	3670	3505	65.74
4	A	1904	1819	5.22
5	A	1883	1798	628.52
6	A	1688	1612	118.14
7	A	1483	1417	9.77
8	A	1369	1308	43.43
9	A	1251	1195	365.44
10	A	1139	1088	5.97
11	A	854	816	6.74
12	A	808	772	9.03
13	A	685	654	166.76
14	A	636	607	74.11
15	A	615	587	22.57
16	A	546	522	1.66
17	A	438	419	1.43
18	A	428	409	4.65
19	A	280	267	45.77
20	A	261	249	261.60
21	A	53	51	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.737	0.166	-0.003
C2	-0.756	-0.227	-0.004
O3	-1.125	-1.373	-0.041
O4	1.116	1.307	-0.044
O5	1.534	-0.895	0.040
N6	-1.549	0.870	0.060
H7	-2.542	0.749	-0.029
H8	-1.150	1.788	-0.023
H9	2.443	-0.573	0.032

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5433	2.4160	1.2025	1.3283	2.3924	3.3302	2.4878	1.8598
C2	1.5433		1.2051	2.4198	2.3859	1.3551	2.0354	2.0526	3.2175
O3	2.4160	1.2051		3.4932	2.7029	2.2854	2.5517	3.1610	3.6571
O4	1.2025	2.4198	3.4932		2.2428	2.7022	3.7002	2.3165	2.3022
O5	1.3283	2.3859	2.7029	2.2428		3.5528	4.3957	3.7956	0.9642
N6	2.3924	1.3551	2.2854	2.7022	3.5528		1.0045	1.0037	4.2448
H7	3.3302	2.0354	2.5517	3.7002	4.3957	1.0045		1.7368	5.1575
H8	2.4878	2.0526	3.1610	2.3165	3.7956	1.0037	1.7368		4.2994
H9	1.8598	3.2175	3.6571	2.3022	0.9642	4.2448	5.1575	4.2994

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

using model chemistry: CCD/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	122.576	C1	C2	N6	111.095
C1	O5	H9	107.368	C2	C1	O4	123.114
C2	C1	O5	112.157	C2	N6	H7	118.463
C2	N6	H8	120.223	O3	C2	N6	126.323
O4	C1	O5	124.728	H7	N6	H8	119.737

	hartrees
Energy at 0K	-357.648425
Energy at 298.15K	-357.653558
Nuclear repulsion energy	234.130883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3798	3627	74.09
2	A'	3757	3588	101.63
3	A'	3665	3501	78.90
4	A'	1936	1849	196.82
5	A'	1867	1783	410.06
6	A'	1687	1611	78.44
7	A'	1506	1438	194.22
8	A'	1390	1328	417.30
9	A'	1250	1194	19.15
10	A'	1140	1089	1.68
11	A'	831	794	11.28
12	A'	645	616	16.71
13	A'	560	535	2.64
14	A'	424	405	6.70
15	A'	288	275	36.51
16	A"	841	803	0.29
17	A"	710	678	139.51
18	A"	659	630	11.40
19	A"	463	442	45.50
20	A"	248	236	264.02
21	A"	92	88	1.57

Atom	x (Å)	y (Å)
C1	0.004	-0.795
C2	0.000	0.751
O3	-1.058	1.349
O4	1.010	-1.444
O5	-1.224	-1.297
N6	1.231	1.284
H7	1.343	2.282
H8	2.036	0.683
H9	-1.840	-0.551

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5459	2.3929	1.1969	1.3260	2.4143	3.3564	2.5127	1.8598
C2	1.5459		1.2156	2.4156	2.3857	1.3413	2.0371	2.0367	2.2541
O3	2.3929	1.2156		3.4750	2.6516	2.2896	2.5761	3.1645	2.0551
O4	1.1969	2.4156	3.4750		2.2381	2.7368	3.7410	2.3612	2.9861
O5	1.3260	2.3857	2.6516	2.2381		3.5619	4.4047	3.8136	0.9676
N6	2.4143	1.3413	2.2896	2.7368	3.5619		1.0046	1.0046	3.5774
H7	3.3564	2.0371	2.5761	3.7410	4.4047	1.0046		1.7429	4.2617
H8	2.5127	2.0367	3.1645	2.3612	3.8136	1.0046	1.7429		4.0674
H9	1.8598	2.2541	2.0551	2.9861	0.9676	3.5774	4.2617	4.0674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	119.632	C1	C2	N6	113.296
C1	O5	H9	107.322	C2	C1	O4	122.946
C2	C1	O5	112.110	C2	N6	H7	119.858
C2	N6	H8	119.813	O3	C2	N6	127.072
O4	C1	O5	124.943	H7	N6	H8	120.328

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

using model chemistry: CCD/6-311G*

States and conformations

Conformer 1 (H out)

Conformer 2 (H in)

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