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	hartrees
Energy at 0K	-376.533472
Energy at 298.15K	-376.537828
HF Energy	-376.533472
Nuclear repulsion energy	237.292632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	4041	3679	0.00
2	A_g	2041	1858	0.00
3	A_g	1592	1449	0.00
4	A_g	1340	1220	0.00
5	A_g	912	830	0.00
6	A_g	610	555	0.00
7	A_g	450	410	0.00
8	A_u	687	626	224.16
9	A_u	532	484	81.35
10	A_u	120	110	8.63
11	B_g	947	862	0.00
12	B_g	684	623	0.00
13	B_u	4044	3682	347.25
14	B_u	2033	1851	755.35
15	B_u	1452	1322	950.89
16	B_u	1309	1191	10.28
17	B_u	745	678	30.24
18	B_u	291	265	50.83

Atom	x (Å)	y (Å)
C1	-0.051	0.768
C2	0.051	-0.768
O3	1.100	1.376
O4	-1.100	-1.376
O5	-1.100	1.302
O6	1.100	-1.302
H7	1.805	0.741
H8	-1.805	-0.741

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5394	1.3011	2.3868	1.1772	2.3681	1.8558	2.3140
C2	1.5394		2.3868	1.3011	2.3681	1.1772	2.3140	1.8558
O3	1.3011	2.3868		3.5227	2.2010	2.6775	0.9488	3.5942
O4	2.3868	1.3011	3.5227		2.6775	2.2010	3.5942	0.9488
O5	1.1772	2.3681	2.2010	2.6775		3.4084	2.9585	2.1609
O6	2.3681	1.1772	2.6775	2.2010	3.4084		2.1609	2.9585
H7	1.8558	2.3140	0.9488	3.5942	2.9585	2.1609		3.9022
H8	2.3140	1.8558	3.5942	0.9488	2.1609	2.9585	3.9022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	114.072	C1	C2	O6	120.733
C1	O3	H7	110.156	C2	C1	O3	114.072
C2	C1	O5	120.733	C2	O4	H8	110.156
O3	C1	O5	125.195	O4	C2	O6	125.195

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

using model chemistry: HF/aug-cc-pVTZ

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	0.710
2	C	0.710
3	O	-0.346
4	O	-0.346
5	O	-0.611
6	O	-0.611
7	H	0.246
8	H	0.246

	x	y	z
x	6.437	-0.393	0.000
y	-0.393	5.318	0.000
z	0.000	0.000	3.520

<r²>	132.680
(<r²>)^1/2	11.519

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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