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	hartrees
Energy at 0K	-357.561097
Energy at 298.15K	-357.566279
Nuclear repulsion energy	233.539910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3793	3628	91.95
2	A'	3719	3558	144.62
3	A'	3644	3486	82.65
4	A'	1939	1855	195.38
5	A'	1871	1790	373.99
6	A'	1631	1561	58.43
7	A'	1502	1437	246.15
8	A'	1386	1326	340.57
9	A'	1253	1199	13.16
10	A'	1119	1071	2.59
11	A'	831	795	9.98
12	A'	643	615	15.93
13	A'	558	534	2.24
14	A'	414	396	6.35
15	A'	277	265	39.53
16	A"	850	813	0.00
17	A"	729	698	107.96
18	A"	661	633	6.22
19	A"	464	444	39.32
20	A"	263	252	206.94
21	A"	109	105	0.01

Atom	x (Å)	y (Å)
C1	0.006	-0.796
C2	0.000	0.749
O3	-1.066	1.347
O4	1.015	-1.452
O5	-1.230	-1.292
N6	1.234	1.287
H7	1.349	2.292
H8	2.036	0.669
H9	-1.812	-0.508

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5456	2.3958	1.2037	1.3311	2.4179	3.3670	2.5037	1.8400
C2	1.5456		1.2218	2.4241	2.3832	1.3458	2.0486	2.0375	2.2054
O3	2.3958	1.2218		3.4875	2.6439	2.3007	2.5928	3.1749	1.9992
O4	1.2037	2.4241	3.4875		2.2502	2.7473	3.7584	2.3540	2.9800
O5	1.3311	2.3832	2.6439	2.2502		3.5663	4.4147	3.8091	0.9765
N6	2.4179	1.3458	2.3007	2.7473	3.5663		1.0115	1.0121	3.5352
H7	3.3670	2.0486	2.5928	3.7584	4.4147	1.0115		1.7621	4.2221
H8	2.5037	2.0375	3.1749	2.3540	3.8091	1.0121	1.7621		4.0236
H9	1.8400	2.2054	1.9992	2.9800	0.9765	3.5352	4.2221	4.0236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	119.473	C1	C2	N6	113.309
C1	O5	H9	104.717	C2	C1	O4	123.231
C2	C1	O5	111.668	C2	N6	H7	120.022
C2	N6	H8	118.882	O3	C2	N6	127.218
O4	C1	O5	125.101	H7	N6	H8	121.096

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

using model chemistry: CCD/cc-pVDZ

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

using model chemistry: CCD/cc-pVDZ

States and conformations

Conformer 1 (H out)

Conformer 2 (H in)

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