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	hartrees
Energy at 0K	-378.024374
Energy at 298.15K	-378.028555
HF Energy	-378.024374
Nuclear repulsion energy	235.169466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3674	3522	0.00
2	A_g	1889	1811	0.00
3	A_g	1493	1431	0.00
4	A_g	1241	1190	0.00
5	A_g	848	813	0.00
6	A_g	575	551	0.00
7	A_g	417	399	0.00
8	A_u	734	704	239.00
9	A_u	468	449	60.56
10	A_u	133	127	6.20
11	B_g	839	804	0.00
12	B_g	726	696	0.00
13	B_u	3677	3524	209.97
14	B_u	1906	1827	476.96
15	B_u	1375	1318	896.58
16	B_u	1233	1182	8.92
17	B_u	684	655	24.88
18	B_u	274	263	57.59

Atom	x (Å)	y (Å)
C1	-0.053	0.767
C2	0.053	-0.767
O3	1.120	1.364
O4	-1.120	-1.364
O5	-1.120	1.315
O6	1.120	-1.315
H7	1.799	0.667
H8	-1.799	-0.667

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5384	1.3156	2.3833	1.1996	2.3899	1.8542	2.2599
C2	1.5384		2.3833	1.3156	2.3899	1.1996	2.2599	1.8542
O3	1.3156	2.3833		3.5291	2.2406	2.6785	0.9723	3.5559
O4	2.3833	1.3156	3.5291		2.6785	2.2406	3.5559	0.9723
O5	1.1996	2.3899	2.2406	2.6785		3.4547	2.9899	2.0953
O6	2.3899	1.1996	2.6785	2.2406	3.4547		2.0953	2.9899
H7	1.8542	2.2599	0.9723	3.5559	2.9899	2.0953		3.8372
H8	2.2599	1.8542	3.5559	0.9723	2.0953	2.9899	3.8372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.016	C1	C2	O6	121.091
C1	O3	H7	107.329	C2	C1	O3	113.016
C2	C1	O5	121.091	C2	O4	H8	107.329
O3	C1	O5	125.893	O4	C2	O6	125.893

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

using model chemistry: PBE1PBE/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	0.362
2	C	0.362
3	O	-0.467
4	O	-0.467
5	O	-0.333
6	O	-0.333
7	H	0.437
8	H	0.437

	x	y	z
x	6.284	-0.301	0.000
y	-0.301	4.626	0.000
z	0.000	0.000	2.482

<r²>	133.677
(<r²>)^1/2	11.562

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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