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	hartrees
Energy at 0K	-378.134775
Energy at 298.15K	-378.138614
HF Energy	-378.134775
Nuclear repulsion energy	227.933840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3333	3307	0.00
2	A_g	1666	1653	0.00
3	A_g	1301	1292	0.00
4	A_g	1148	1139	0.00
5	A_g	757	752	0.00
6	A_g	531	527	0.00
7	A_g	388	385	0.00
8	A_u	679	674	272.79
9	A_u	419	416	54.02
10	A_u	129	128	5.95
11	B_g	732	726	0.00
12	B_g	660	655	0.00
13	B_u	3331	3305	109.93
14	B_u	1705	1692	226.61
15	B_u	1222	1213	704.53
16	B_u	1120	1112	73.39
17	B_u	621	616	18.44
18	B_u	250	248	59.14

Atom	x (Å)	y (Å)
C1	-0.055	0.769
C2	0.055	-0.769
O3	1.157	1.407
O4	-1.157	-1.407
O5	-1.157	1.351
O6	1.157	-1.351
H7	1.886	0.720
H8	-1.886	-0.720

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5421	1.3694	2.4385	1.2456	2.4419	1.9420	2.3595
C2	1.5421		2.4385	1.3694	2.4419	1.2456	2.3595	1.9420
O3	1.3694	2.4385		3.6422	2.3141	2.7574	1.0019	3.7119
O4	2.4385	1.3694	3.6422		2.7574	2.3141	3.7119	1.0019
O5	1.2456	2.4419	2.3141	2.7574		3.5568	3.1075	2.1950
O6	2.4419	1.2456	2.7574	2.3141	3.5568		2.1950	3.1075
H7	1.9420	2.3595	1.0019	3.7119	3.1075	2.1950		4.0372
H8	2.3595	1.9420	3.7119	1.0019	2.1950	3.1075	4.0372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.630	C1	C2	O6	121.958
C1	O3	H7	108.966	C2	C1	O3	113.630
C2	C1	O5	121.958	C2	O4	H8	108.966
O3	C1	O5	124.412	O4	C2	O6	124.412

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

using model chemistry: BLYP/6-31G

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	0.434
2	C	0.434
3	O	-0.471
4	O	-0.471
5	O	-0.354
6	O	-0.354
7	H	0.391
8	H	0.391

	x	y	z
x	7.008	-0.260	0.000
y	-0.260	4.805	0.000
z	0.000	0.000	1.952

<r²>	141.049
(<r²>)^1/2	11.876

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

using model chemistry: BLYP/6-31G

States and conformations

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