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	hartrees
Energy at 0K	-358.609365
Energy at 298.15K	-358.614414
Nuclear repulsion energy	232.524498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3754	3630	85.54
2	A'	3721	3598	80.90
3	A'	3587	3468	57.02
4	A'	1804	1744	8.90
5	A'	1794	1734	641.30
6	A'	1600	1547	116.06
7	A'	1407	1361	9.88
8	A'	1311	1268	66.48
9	A'	1179	1140	291.30
10	A'	1094	1058	3.88
11	A'	772	746	8.02
12	A'	615	595	71.85
13	A'	526	508	0.32
14	A'	413	399	3.77
15	A'	269	260	15.62
16	A"	836	808	5.33
17	A"	670	648	115.28
18	A"	626	605	27.34
19	A"	440	425	17.57
20	A"	354	343	173.33
21	A"	62	60	5.66

Atom	x (Å)	y (Å)
C1	0.000	0.758
C2	-0.053	-0.790
O3	-1.091	-1.408
O4	1.031	1.380
O5	-1.214	1.302
N6	1.189	-1.318
H7	1.298	-2.318
H8	1.993	-0.714
H9	-1.103	2.265

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5483	2.4253	1.2047	1.3303	2.3923	3.3381	2.4779	1.8677
C2	1.5483		1.2082	2.4258	2.3921	1.3500	2.0399	2.0483	3.2297
O3	2.4253	1.2082		3.5044	2.7132	2.2818	2.5565	3.1619	3.6729
O4	1.2047	2.4258	3.5044		2.2466	2.7029	3.7074	2.3045	2.3110
O5	1.3303	2.3921	2.7132	2.2466		3.5551	4.4059	3.7883	0.9687
N6	2.3923	1.3500	2.2818	2.7029	3.5551		1.0054	1.0062	4.2534
H7	3.3381	2.0399	2.5565	3.7074	4.4059	1.0054		1.7480	5.1735
H8	2.4779	2.0483	3.1619	2.3045	3.7883	1.0062	1.7480		4.2969
H9	1.8677	3.2297	3.6729	2.3110	0.9687	4.2534	5.1735	4.2969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.775	C1	C2	N6	111.073
C1	O5	H9	107.626	C2	C1	O4	123.084
C2	C1	O5	112.182	C2	N6	H7	119.285
C2	N6	H8	120.046	O3	C2	N6	126.152
O4	C1	O5	124.735	H7	N6	H8	120.669

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	0.983
2	C	0.976
3	O	-0.748
4	O	-0.744
5	O	-0.524
6	N	-0.665
7	H	0.200
8	H	0.242
9	H	0.279

	x	y	z	Total
	2.162	0.608	0.000	2.246
CHELPG
AIM
ESP

	x	y	z
x	7.993	-0.128	0.000
y	-0.128	7.431	0.000
z	0.000	0.000	4.307

<r²>	142.277
(<r²>)^1/2	11.928

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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