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	hartrees
Energy at 0K	-358.463226
Energy at 298.15K	-358.468140
Nuclear repulsion energy	229.151715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3609	3602	67.37
2	A'	3582	3575	58.27
3	A'	3466	3460	41.40
4	A'	1702	1699	46.24
5	A'	1690	1687	512.21
6	A'	1540	1537	97.38
7	A'	1338	1335	2.61
8	A'	1261	1258	37.58
9	A'	1119	1117	285.66
10	A'	1045	1043	3.90
11	A'	732	730	3.68
12	A'	583	582	62.40
13	A'	499	498	0.43
14	A'	394	393	3.81
15	A'	256	256	14.71
16	A"	790	789	4.84
17	A"	658	657	112.99
18	A"	621	620	5.30
19	A"	420	419	16.29
20	A"	357	357	165.95
21	A"	66	66	5.96

Atom	x (Å)	y (Å)
C1	0.000	0.763
C2	-0.050	-0.795
O3	-1.101	-1.437
O4	1.042	1.409
O5	-1.243	1.308
N6	1.212	-1.326
H7	1.324	-2.337
H8	2.025	-0.714
H9	-1.121	2.283

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5592	2.4598	1.2266	1.3570	2.4154	3.3709	2.5067	1.8884
C2	1.5592		1.2307	2.4607	2.4178	1.3691	2.0652	2.0771	3.2591
O3	2.4598	1.2307		3.5628	2.7483	2.3148	2.5862	3.2082	3.7199
O4	1.2266	2.4607	3.5628		2.2875	2.7411	3.7570	2.3400	2.3328
O5	1.3570	2.4178	2.7483	2.2875		3.6005	4.4579	3.8430	0.9828
N6	2.4154	1.3691	2.3148	2.7411	3.6005		1.0168	1.0183	4.2974
H7	3.3709	2.0652	2.5862	3.7570	4.4579	1.0168		1.7679	5.2269
H8	2.5067	2.0771	3.2082	2.3400	3.8430	1.0183	1.7679		4.3450
H9	1.8884	3.2591	3.7199	2.3328	0.9828	4.2974	5.2269	4.3450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.261	C1	C2	N6	110.978
C1	O5	H9	106.523	C2	C1	O4	123.649
C2	C1	O5	111.822	C2	N6	H7	119.170
C2	N6	H8	120.212	O3	C2	N6	125.760
O4	C1	O5	124.529	H7	N6	H8	120.618

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

using model chemistry: BLYP/aug-cc-pVDZ

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	0.624
2	C	0.496
3	O	-0.468
4	O	-0.483
5	O	-0.325
6	N	0.191
7	H	-0.097
8	H	-0.086
9	H	0.148

	x	y	z	Total
	2.176	0.536	0.000	2.241
CHELPG
AIM
ESP

	x	y	z
x	8.721	-0.237	0.000
y	-0.237	8.258	-0.000
z	0.000	-0.000	4.622

<r²>	145.938
(<r²>)^1/2	12.080

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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