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	hartrees
Energy at 0K	-378.040674
Energy at 298.15K	-378.044713
HF Energy	-378.040674
Nuclear repulsion energy	232.629802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3448	3412	0.00
2	A_g	1777	1759	0.00
3	A_g	1414	1399	0.00
4	A_g	1183	1171	0.00
5	A_g	800	792	0.00
6	A_g	551	546	0.00
7	A_g	395	391	0.00
8	A_u	736	729	206.53
9	A_u	439	435	48.19
10	A_u	132	131	5.30
11	B_g	795	787	0.00
12	B_g	724	717	0.00
13	B_u	3449	3414	168.05
14	B_u	1807	1789	366.26
15	B_u	1321	1307	803.72
16	B_u	1173	1161	21.48
17	B_u	650	643	21.97
18	B_u	262	259	56.96

Atom	x (Å)	y (Å)
C1	-0.055	0.772
C2	0.055	-0.772
O3	1.134	1.374
O4	-1.134	-1.374
O5	-1.134	1.332
O6	1.134	-1.332
H7	1.805	0.649
H8	-1.805	-0.649

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5486	1.3330	2.4024	1.2149	2.4170	1.8642	2.2540
C2	1.5486		2.4024	1.3330	2.4170	1.2149	2.2540	1.8642
O3	1.3330	2.4024		3.5635	2.2680	2.7064	0.9879	3.5679
O4	2.4024	1.3330	3.5635		2.7064	2.2680	3.5679	0.9879
O5	1.2149	2.4170	2.2680	2.7064		3.4983	3.0167	2.0917
O6	2.4170	1.2149	2.7064	2.2680	3.4983		2.0917	3.0167
H7	1.8642	2.2540	0.9879	3.5679	3.0167	2.0917		3.8358
H8	2.2540	1.8642	3.5679	0.9879	2.0917	3.0167	3.8358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.746	C1	C2	O6	121.534
C1	O3	H7	105.919	C2	C1	O3	112.746
C2	C1	O5	121.534	C2	O4	H8	105.919
O3	C1	O5	125.719	O4	C2	O6	125.719

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

using model chemistry: PBEPBE/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	0.300
2	C	0.300
3	O	-0.418
4	O	-0.418
5	O	-0.292
6	O	-0.292
7	H	0.410
8	H	0.410

	x	y	z
x	6.692	-0.192	0.000
y	-0.192	5.054	0.000
z	0.000	0.000	2.550

<r²>	135.984
(<r²>)^1/2	11.661

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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