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	hartrees
Energy at 0K	-378.176634
Energy at 298.15K	-378.180619
HF Energy	-378.176634
Nuclear repulsion energy	230.522570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3530	3396	0.00
2	A_g	1763	1696	0.00
3	A_g	1366	1314	0.00
4	A_g	1204	1158	0.00
5	A_g	803	772	0.00
6	A_g	555	534	0.00
7	A_g	408	393	0.00
8	A_u	680	654	324.47
9	A_u	443	426	64.92
10	A_u	131	126	6.84
11	B_g	764	735	0.00
12	B_g	665	639	0.00
13	B_u	3530	3396	175.34
14	B_u	1789	1721	303.26
15	B_u	1256	1208	835.16
16	B_u	1189	1144	16.71
17	B_u	653	628	19.61
18	B_u	262	252	60.75

Atom	x (Å)	y (Å)
C1	-0.051	0.763
C2	0.051	-0.763
O3	1.143	1.392
O4	-1.143	-1.392
O5	-1.143	1.333
O6	1.143	-1.333
H7	1.884	0.741
H8	-1.884	-0.741

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5303	1.3493	2.4161	1.2311	2.4126	1.9354	2.3709
C2	1.5303		2.4161	1.3493	2.4126	1.2311	2.3709	1.9354
O3	1.3493	2.4161		3.6020	2.2860	2.7253	0.9870	3.7026
O4	2.4161	1.3493	3.6020		2.7253	2.2860	3.7026	0.9870
O5	1.2311	2.4126	2.2860	2.7253		3.5115	3.0841	2.2023
O6	2.4126	1.2311	2.7253	2.2860	3.5115		2.2023	3.0841
H7	1.9354	2.3709	0.9870	3.7026	3.0841	2.2023		4.0488
H8	2.3709	1.9354	3.7026	0.9870	2.2023	3.0841	4.0488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.935	C1	C2	O6	121.405
C1	O3	H7	110.918	C2	C1	O3	113.935
C2	C1	O5	121.405	C2	O4	H8	110.918
O3	C1	O5	124.660	O4	C2	O6	124.660

All results from a given calculation for C₂H₂O₄ (Oxalic Acid)

using model chemistry: B3LYP/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	0.493
2	C	0.493
3	O	-0.524
4	O	-0.524
5	O	-0.386
6	O	-0.386
7	H	0.417
8	H	0.417

	x	y	z
x	6.659	-0.375	0.000
y	-0.375	4.382	0.000
z	0.000	0.000	1.912

<r²>	138.622
(<r²>)^1/2	11.774

All results from a given calculation for C2H2O4 (Oxalic Acid)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for C₂H₂O₄ (Oxalic Acid)