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	hartrees
Energy at 0K	-378.203900
Energy at 298.15K	-378.208044
HF Energy	-378.203900
Nuclear repulsion energy	234.981170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3625	3441	0.00
2	A_g	1905	1808	0.00
3	A_g	1511	1434	0.00
4	A_g	1258	1194	0.00
5	A_g	851	808	0.00
6	A_g	573	544	0.00
7	A_g	417	396	0.00
8	A_u	734	697	216.67
9	A_u	457	434	58.54
10	A_u	135	128	5.92
11	B_g	802	761	0.00
12	B_g	721	685	0.00
13	B_u	3629	3445	262.23
14	B_u	1926	1828	427.99
15	B_u	1387	1317	875.32
16	B_u	1253	1190	7.01
17	B_u	675	641	23.38
18	B_u	278	264	54.20

Atom	x (Å)	y (Å)
C1	-0.051	0.765
C2	0.051	-0.765
O3	1.124	1.359
O4	-1.124	-1.359
O5	-1.124	1.314
O6	1.124	-1.314
H7	1.792	0.644
H8	-1.792	-0.644

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5343	1.3169	2.3801	1.2051	2.3889	1.8478	2.2401
C2	1.5343		2.3801	1.3169	2.3889	1.2051	2.2401	1.8478
O3	1.3169	2.3801		3.5276	2.2488	2.6733	0.9788	3.5382
O4	2.3801	1.3169	3.5276		2.6733	2.2488	3.5382	0.9788
O5	1.2051	2.3889	2.2488	2.6733		3.4589	2.9927	2.0691
O6	2.3889	1.2051	2.6733	2.2488	3.4589		2.0691	2.9927
H7	1.8478	2.2401	0.9788	3.5382	2.9927	2.0691		3.8092
H8	2.2401	1.8478	3.5382	0.9788	2.0691	2.9927	3.8092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.961	C1	C2	O6	120.925
C1	O3	H7	106.262	C2	C1	O3	112.961
C2	C1	O5	120.925	C2	O4	H8	106.262
O3	C1	O5	126.113	O4	C2	O6	126.113

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

using model chemistry: B1B95/6-31G*

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	0.558
2	C	0.558
3	O	-0.559
4	O	-0.559
5	O	-0.458
6	O	-0.458
7	H	0.459
8	H	0.459

	x	y	z
x	6.197	-0.285	0.000
y	-0.285	4.534	0.000
z	0.000	0.000	2.325

<r²>	133.271
(<r²>)^1/2	11.544

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

using model chemistry: B1B95/6-31G*

States and conformations

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