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	hartrees
Energy at 0K	-358.014389
Energy at 298.15K	-358.020336
Nuclear repulsion energy	236.544225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4000	4000	163.51
2	A'	3974	3974	99.94
3	A'	3845	3845	93.24
4	A'	2078	2078	254.65
5	A'	1978	1978	601.83
6	A'	1798	1798	91.55
7	A'	1605	1605	173.72
8	A'	1466	1466	552.88
9	A'	1321	1321	13.01
10	A'	1216	1216	0.39
11	A'	889	889	10.40
12	A'	689	689	24.74
13	A'	596	596	3.59
14	A'	450	450	6.50
15	A'	304	304	38.99
16	A"	926	926	0.04
17	A"	720	720	183.84
18	A"	697	697	14.41
19	A"	528	528	204.65
20	A"	425	425	172.97
21	A"	110	110	7.00

Atom	x (Å)	y (Å)
C1	0.002	-0.792
C2	0.000	0.747
O3	-1.046	1.330
O4	0.997	-1.423
O5	-1.204	-1.296
N6	1.217	1.286
H7	1.317	2.275
H8	2.021	0.703
H9	-1.845	-0.595

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5393	2.3660	1.1783	1.3071	2.4072	3.3365	2.5122	1.8576
C2	1.5393		1.1967	2.3887	2.3721	1.3309	2.0164	2.0215	2.2819
O3	2.3660	1.1967		3.4278	2.6309	2.2630	2.5442	3.1300	2.0842
O4	1.1783	2.3887	3.4278		2.2042	2.7185	3.7118	2.3601	2.9602
O5	1.3071	2.3721	2.6309	2.2042		3.5399	4.3710	3.7944	0.9505
N6	2.4072	1.3309	2.2630	2.7185	3.5399		0.9934	0.9934	3.5940
H7	3.3365	2.0164	2.5442	3.7118	4.3710	0.9934		1.7225	4.2700
H8	2.5122	2.0215	3.1300	2.3601	3.7944	0.9934	1.7225		4.0783
H9	1.8576	2.2819	2.0842	2.9602	0.9505	3.5940	4.2700	4.0783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	119.185	C1	C2	N6	113.810
C1	O5	H9	109.730	C2	C1	O4	122.479
C2	C1	O5	112.638	C2	N6	H7	119.635
C2	N6	H8	120.155	O3	C2	N6	127.006
O4	C1	O5	124.883	H7	N6	H8	120.210

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

Conformer 1 (H out)

Conformer 2 (H in)

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