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	hartrees
Energy at 0K	-358.132036
Energy at 298.15K	-358.136996
HF Energy	-357.816285
Nuclear repulsion energy	231.762011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3757	3566	79.00
2	A'	3697	3510	73.55
3	A'	3622	3438	69.24
4	A'	1834	1741	49.54
5	A'	1811	1719	462.13
6	A'	1634	1551	118.78
7	A'	1453	1379	12.95
8	A'	1343	1275	55.04
9	A'	1207	1146	291.27
10	A'	1110	1054	2.43
11	A'	786	747	7.12
12	A'	610	579	74.33
13	A'	532	505	0.32
14	A'	418	397	4.26
15	A'	273	259	14.47
16	A"	815	773	5.75
17	A"	693	658	152.31
18	A"	643	611	10.63
19	A"	432	410	8.69
20	A"	286	272	266.23
21	A"	63	60	0.48

Atom	x (Å)	y (Å)
C1	0.000	0.757
C2	-0.056	-0.788
O3	-1.100	-1.414
O4	1.040	1.384
O5	-1.222	1.290
N6	1.197	-1.306
H7	1.313	-2.307
H8	2.004	-0.700
H9	-1.112	2.257

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5460	2.4337	1.2148	1.3328	2.3849	3.3338	2.4775	1.8672
C2	1.5460		1.2169	2.4332	2.3822	1.3563	2.0454	2.0621	3.2226
O3	2.4337	1.2169		3.5228	2.7064	2.2997	2.5728	3.1849	3.6706
O4	1.2148	2.4332	3.5228		2.2641	2.6942	3.7016	2.2958	2.3230
O5	1.3328	2.3822	2.7064	2.2641		3.5478	4.4004	3.7898	0.9731
N6	2.3849	1.3563	2.2997	2.6942	3.5478		1.0085	1.0087	4.2455
H7	3.3338	2.0454	2.5728	3.7016	4.4004	1.0085		1.7499	5.1685
H8	2.4775	2.0621	3.1849	2.2958	3.7898	1.0087	1.7499		4.2956
H9	1.8672	3.2226	3.6706	2.3230	0.9731	4.2455	5.1685	4.2956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.046	C1	C2	N6	110.348
C1	O5	H9	107.114	C2	C1	O4	123.164
C2	C1	O5	111.471	C2	N6	H7	119.011
C2	N6	H8	120.658	O3	C2	N6	126.607
O4	C1	O5	125.365	H7	N6	H8	120.331

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

using model chemistry: B2PLYP/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.613
2	C	0.613
3	O	-0.520
4	O	-0.517
5	O	-0.591
6	N	-0.816
7	H	0.378
8	H	0.395
9	H	0.445

	x	y	z
x	6.635	-0.125	0.000
y	-0.125	5.834	0.000
z	0.000	0.000	2.448

<r²>	142.077
(<r²>)^1/2	11.920

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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