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	hartrees
Energy at 0K	-378.427406
Energy at 298.15K	-378.431526
HF Energy	-378.427406
Nuclear repulsion energy	233.919860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3632	3510	0.00
2	A_g	1845	1783	0.00
3	A_g	1455	1406	0.00
4	A_g	1221	1180	0.00
5	A_g	826	798	0.00
6	A_g	566	547	0.00
7	A_g	411	397	0.00
8	A_u	718	693	234.20
9	A_u	463	447	61.39
10	A_u	129	125	6.04
11	B_g	826	798	0.00
12	B_g	708	684	0.00
13	B_u	3634	3511	187.01
14	B_u	1864	1801	442.28
15	B_u	1353	1307	876.13
16	B_u	1204	1163	24.96
17	B_u	677	654	24.12
18	B_u	271	262	54.70

Atom	x (Å)	y (Å)
C1	-0.055	0.771
C2	0.055	-0.771
O3	1.124	1.376
O4	-1.124	-1.376
O5	-1.124	1.322
O6	1.124	-1.322
H7	1.813	0.687
H8	-1.813	-0.687

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5465	1.3246	2.3992	1.2026	2.4022	1.8692	2.2841
C2	1.5465		2.3992	1.3246	2.4022	1.2026	2.2841	1.8692
O3	1.3246	2.3992		3.5538	2.2480	2.6985	0.9749	3.5888
O4	2.3992	1.3246	3.5538		2.6985	2.2480	3.5888	0.9749
O5	1.2026	2.4022	2.2480	2.6985		3.4701	3.0043	2.1238
O6	2.4022	1.2026	2.6985	2.2480	3.4701		2.1238	3.0043
H7	1.8692	2.2841	0.9749	3.5888	3.0043	2.1238		3.8769
H8	2.2841	1.8692	3.5888	0.9749	2.1238	3.0043	3.8769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.135	C1	C2	O6	121.304
C1	O3	H7	107.789	C2	C1	O3	113.135
C2	C1	O5	121.304	C2	O4	H8	107.789
O3	C1	O5	125.562	O4	C2	O6	125.562

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

using model chemistry: B3LYP/6-311G*

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	0.348
2	C	0.348
3	O	-0.456
4	O	-0.456
5	O	-0.317
6	O	-0.317
7	H	0.425
8	H	0.425

	x	y	z
x	6.391	-0.281	0.000
y	-0.281	4.712	0.000
z	0.000	0.000	2.488

<r²>	135.129
(<r²>)^1/2	11.625

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

using model chemistry: B3LYP/6-311G*

States and conformations

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