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	hartrees
Energy at 0K	-376.214195
Energy at 298.15K	-376.218356
HF Energy	-376.214195
Nuclear repulsion energy	231.464320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3337	3219	0.00
2	A_g	1779	1717	0.00
3	A_g	1386	1338	0.00
4	A_g	1199	1157	0.00
5	A_g	778	751	0.00
6	A_g	572	551	0.00
7	A_g	401	387	0.00
8	A_u	743	717	280.25
9	A_u	476	459	39.19
10	A_u	169	163	3.18
11	B_g	828	799	0.00
12	B_g	742	715	0.00
13	B_u	3339	3222	164.21
14	B_u	1828	1763	213.79
15	B_u	1298	1252	810.00
16	B_u	1193	1152	50.11
17	B_u	657	634	20.28
18	B_u	254	245	68.91

Atom	x (Å)	y (Å)
C1	-0.057	0.764
C2	0.057	-0.764
O3	1.149	1.366
O4	-1.149	-1.366
O5	-1.149	1.323
O6	1.149	-1.323
H7	1.844	0.637
H8	-1.844	-0.637

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5332	1.3476	2.3945	1.2272	2.4106	1.9044	2.2711
C2	1.5332		2.3945	1.3476	2.4106	1.2272	2.2711	1.9044
O3	1.3476	2.3945		3.5706	2.2990	2.6890	1.0069	3.6014
O4	2.3945	1.3476	3.5706		2.6890	2.2990	3.6014	1.0069
O5	1.2272	2.4106	2.2990	2.6890		3.5048	3.0706	2.0792
O6	2.4106	1.2272	2.6890	2.2990	3.5048		2.0792	3.0706
H7	1.9044	2.2711	1.0069	3.6014	3.0706	2.0792		3.9011
H8	2.2711	1.9044	3.6014	1.0069	2.0792	3.0706	3.9011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.286	C1	C2	O6	121.295
C1	O3	H7	107.081	C2	C1	O3	112.286
C2	C1	O5	121.295	C2	O4	H8	107.081
O3	C1	O5	126.419	O4	C2	O6	126.419

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

using model chemistry: B3LYP/3-21G

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	0.621
2	C	0.621
3	O	-0.545
4	O	-0.545
5	O	-0.466
6	O	-0.466
7	H	0.390
8	H	0.390

	x	y	z
x	6.072	-0.308	0.000
y	-0.308	3.956	0.000
z	0.000	0.000	1.541

<r²>	136.489
(<r²>)^1/2	11.683

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

using model chemistry: B3LYP/3-21G

States and conformations

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