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	hartrees
Energy at 0K	-372.657433
Energy at 298.15K
HF Energy	-372.527501
Nuclear repulsion energy	226.503676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3498	3498	0.00
2	A_g	1845	1845	0.00
3	A_g	1596	1596	0.00
4	A_g	1249	1249	0.00
5	A_g	813	813	0.00
6	A_g	579	579	0.00
7	A_g	223	223	0.00
8	A_u	833	833	132.43
9	A_u	378	378	19.52
10	A_u	171	171	0.48
11	B_g	839	839	0.00
12	B_g	711	711	0.00
13	B_u	3515	3515	40.15
14	B_u	1905	1905	45.32
15	B_u	1510	1510	395.19
16	B_u	1217	1217	44.06
17	B_u	608	608	18.50
18	B_u	62i	62i	51.36

Atom	x (Å)	y (Å)
C1	-0.062	0.785
C2	0.062	-0.785
O3	1.201	1.376
O4	-1.201	-1.376
O5	-1.201	1.327
O6	1.201	-1.327
H7	1.769	0.507
H8	-1.769	-0.507

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5758	1.3944	2.4428	1.2608	2.4613	1.8524	2.1405
C2	1.5758		2.4428	1.3944	2.4613	1.2608	2.1405	1.8524
O3	1.3944	2.4428		3.6523	2.4024	2.7026	1.0383	3.5162
O4	2.4428	1.3944	3.6523		2.7026	2.4024	3.5162	1.0383
O5	1.2608	2.4613	2.4024	2.7026		3.5793	3.0811	1.9194
O6	2.4613	1.2608	2.7026	2.4024	3.5793		1.9194	3.0811
H7	1.8524	2.1405	1.0383	3.5162	3.0811	1.9194		3.6801
H8	2.1405	1.8524	3.5162	1.0383	1.9194	3.0811	3.6801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	110.507	C1	C2	O6	119.969
C1	O3	H7	98.121	C2	C1	O3	110.507
C2	C1	O5	119.969	C2	O4	H8	98.121
O3	C1	O5	129.524	O4	C2	O6	129.524

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

using model chemistry: B2PLYP/STO-3G

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	0.189
2	C	0.189
3	O	-0.208
4	O	-0.208
5	O	-0.200
6	O	-0.200
7	H	0.220
8	H	0.220

	x	y	z
x	4.894	-0.418	0.000
y	-0.418	2.936	0.000
z	0.000	0.000	0.724

<r²>	138.421
(<r²>)^1/2	11.765

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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