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	hartrees
Energy at 0K	-378.350982
Energy at 298.15K	-378.355025
HF Energy	-378.350982
Nuclear repulsion energy	233.030535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3653	3516	0.00
2	A_g	1836	1767	0.00
3	A_g	1438	1384	0.00
4	A_g	1216	1171	0.00
5	A_g	823	792	0.00
6	A_g	558	537	0.00
7	A_g	405	389	0.00
8	A_u	695	669	215.45
9	A_u	460	443	65.18
10	A_u	122	117	7.18
11	B_g	805	775	0.00
12	B_g	685	659	0.00
13	B_u	3655	3519	259.89
14	B_u	1856	1787	504.21
15	B_u	1326	1277	837.44
16	B_u	1207	1162	6.24
17	B_u	666	641	21.80
18	B_u	260	250	54.77

Atom	x (Å)	y (Å)
C1	-0.051	0.772
C2	0.051	-0.772
O3	1.126	1.384
O4	-1.126	-1.384
O5	-1.126	1.328
O6	1.126	-1.328
H7	1.823	0.698
H8	-1.823	-0.698

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5470	1.3273	2.4094	1.2105	2.4073	1.8757	2.3019
C2	1.5470		2.4094	1.3273	2.4073	1.2105	2.3019	1.8757
O3	1.3273	2.4094		3.5694	2.2533	2.7123	0.9784	3.6101
O4	2.4094	1.3273	3.5694		2.7123	2.2533	3.6101	0.9784
O5	1.2105	2.4073	2.2533	2.7123		3.4825	3.0160	2.1420
O6	2.4073	1.2105	2.7123	2.2533	3.4825		2.1420	3.0160
H7	1.8757	2.3019	0.9784	3.6101	3.0160	2.1420		3.9039
H8	2.3019	1.8757	3.6101	0.9784	2.1420	3.0160	3.9039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.694	C1	C2	O6	121.143
C1	O3	H7	107.923	C2	C1	O3	113.694
C2	C1	O5	121.143	C2	O4	H8	107.923
O3	C1	O5	125.163	O4	C2	O6	125.163

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

using model chemistry: B3LYPultrafine/6-31+G**

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	0.511
2	C	0.511
3	O	-0.412
4	O	-0.412
5	O	-0.479
6	O	-0.479
7	H	0.380
8	H	0.380

	x	y	z
x	7.293	-0.359	0.000
y	-0.359	5.775	0.000
z	0.000	0.000	3.366

<r²>	136.486
(<r²>)^1/2	11.683

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

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

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