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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	-357.085749
Energy at 298.15K	-357.090823
HF Energy	-356.425539
Nuclear repulsion energy	225.546643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3745	3615	72.60
2	A'	3603	3478	74.78
3	A'	3588	3464	86.08
4	A'	1696	1638	194.08
5	A'	1631	1574	135.89
6	A'	1604	1548	192.21
7	A'	1392	1344	1.26
8	A'	1304	1259	80.87
9	A'	1110	1072	109.94
10	A'	1077	1040	227.91
11	A'	737	712	0.82
12	A'	574	554	69.86
13	A'	522	504	1.53
14	A'	403	389	8.57
15	A'	262	253	11.86
16	A"	782	755	0.68
17	A"	648	625	391.57
18	A"	608	587	13.58
19	A"	599	578	206.35
20	A"	407	393	13.11
21	A"	65	63	7.59

Atom	x (Å)	y (Å)
C1	0.000	0.757
C2	-0.046	-0.795
O3	-1.121	-1.467
O4	1.071	1.427
O5	-1.266	1.322
N6	1.233	-1.327
H7	1.349	-2.336
H8	2.047	-0.718
H9	-1.218	2.312

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5532	2.4912	1.2634	1.3867	2.4220	3.3746	2.5235	1.9747
C2	1.5532		1.2678	2.4875	2.4439	1.3858	2.0786	2.0949	3.3203
O3	2.4912	1.2678		3.6311	2.7934	2.3588	2.6184	3.2559	3.7800
O4	1.2634	2.4875	3.6311		2.3399	2.7591	3.7735	2.3570	2.4542
O5	1.3867	2.4439	2.7934	2.3399		3.6426	4.4970	3.8915	0.9903
N6	2.4220	1.3858	2.3588	2.7591	3.6426		1.0155	1.0165	4.3874
H7	3.3746	2.0786	2.6184	3.7735	4.4970	1.0155		1.7622	5.3093
H8	2.5235	2.0949	3.2559	2.3570	3.8915	1.0165	1.7622		4.4543
H9	1.9747	3.3203	3.7800	2.4542	0.9903	4.3874	5.3093	4.4543

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

using model chemistry: MP2/SDD

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	123.723	C1	C2	N6	110.863
C1	O5	H9	111.255	C2	C1	O4	123.730
C2	C1	O5	112.338	C2	N6	H7	119.098
C2	N6	H8	120.624	O3	C2	N6	125.414
O4	C1	O5	123.931	H7	N6	H8	120.279

	hartrees
Energy at 0K	-357.089997
Energy at 298.15K	-357.095241
Nuclear repulsion energy	226.580065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3735	3606	79.22
2	A'	3580	3456	106.31
3	A'	3541	3418	104.33
4	A'	1704	1645	220.83
5	A'	1668	1611	230.24
6	A'	1623	1566	1.58
7	A'	1394	1345	18.31
8	A'	1270	1226	512.72
9	A'	1139	1099	52.05
10	A'	1098	1060	9.43
11	A'	749	723	19.71
12	A'	594	573	10.87
13	A'	532	513	2.07
14	A'	393	380	4.44
15	A'	261	252	39.55
16	A"	778	751	1.56
17	A"	682	658	321.49
18	A"	651	628	261.30
19	A"	633	611	20.08
20	A"	421	406	4.58
21	A"	110	106	10.52

Atom	x (Å)	y (Å)
C1	0.019	-0.797
C2	0.000	0.764
O3	-1.114	1.389
O4	1.072	-1.479
O5	-1.253	-1.347
N6	1.252	1.324
H7	1.356	2.335
H8	2.074	0.724
H9	-1.945	-0.633

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5608	2.4621	1.2546	1.3860	2.4535	3.4049	2.5564	1.9702
C2	1.5608		1.2775	2.4855	2.4548	1.3718	2.0749	2.0742	2.3944
O3	2.4621	1.2775		3.6059	2.7395	2.3671	2.6445	3.2565	2.1862
O4	1.2546	2.4855	3.6059		2.3290	2.8085	3.8239	2.4196	3.1328
O5	1.3860	2.4548	2.7395	2.3290		3.6622	4.5122	3.9188	0.9936
N6	2.4535	1.3718	2.3671	2.8085	3.6622		1.0158	1.0176	3.7484
H7	3.4049	2.0749	2.6445	3.8239	4.5122	1.0158		1.7637	4.4384
H8	2.5564	2.0742	3.2565	2.4196	3.9188	1.0176	1.7637		4.2413
H9	1.9702	2.3944	2.1862	3.1328	0.9936	3.7484	4.4384	4.2413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	119.994	C1	C2	N6	113.416
C1	O5	H9	110.706	C2	C1	O4	123.608
C2	C1	O5	112.691	C2	N6	H7	119.950
C2	N6	H8	119.740	O3	C2	N6	126.591
O4	C1	O5	123.701	H7	N6	H8	120.310

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

using model chemistry: MP2/SDD

States and conformations

Conformer 1 (H out)

Conformer 2 (H in)

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