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	hartrees
Energy at 0K	-76.265724
Energy at 298.15K	-76.269523
HF Energy	-76.265724
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3685	3685	0.00
2	A_g	1747	1747	0.00
3	A_g	1345	1345	0.00
4	A_g	1172	1172	0.00
5	A_g	792	792	0.00
6	A_g	539	539	0.00
7	A_g	384	384	0.00
8	A_u	633	633	356.59
9	A_u	438	438	86.46
10	A_u	115	115	7.49
11	B_g	776	776	0.00
12	B_g	618	618	0.00
13	B_u	3685	3685	211.33
14	B_u	1763	1763	391.88
15	B_u	1205	1205	849.82
16	B_u	1171	1171	69.43
17	B_u	631	631	24.20
18	B_u	229	229	65.62

Atom	x (Å)	y (Å)
C1	-0.051	0.784
C2	0.051	-0.784
O3	1.151	1.416
O4	-1.151	-1.416
O5	-1.151	1.353
O6	1.151	-1.353
H7	1.906	0.783
H8	-1.906	-0.783

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5709	1.3582	2.4594	1.2378	2.4513	1.9577	2.4284
C2	1.5709		2.4594	1.3582	2.4513	1.2378	2.4284	1.9577
O3	1.3582	2.4594		3.6495	2.3023	2.7687	0.9857	3.7662
O4	2.4594	1.3582	3.6495		2.7687	2.3023	3.7662	0.9857
O5	1.2378	2.4513	2.3023	2.7687		3.5516	3.1096	2.2657
O6	2.4513	1.2378	2.7687	2.3023	3.5516		2.2657	3.1096
H7	1.9577	2.4284	0.9857	3.7662	3.1096	2.2657		4.1221
H8	2.4284	1.9577	3.7662	0.9857	2.2657	3.1096	4.1221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	114.004	C1	C2	O6	121.102
C1	O3	H7	112.307	C2	C1	O3	114.004
C2	C1	O5	121.102	C2	O4	H8	112.307
O3	C1	O5	124.894	O4	C2	O6	124.894

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

using model chemistry: wB97X-D/CEP-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	-0.045
2	C	-0.045
3	O	-0.278
4	O	-0.278
5	O	-0.095
6	O	-0.095
7	H	0.418
8	H	0.418

	x	y	z
x	6.907	-0.528	0.000
y	-0.528	4.663	0.000
z	0.000	0.000	2.412

<r²>	113.971
(<r²>)^1/2	10.676

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

using model chemistry: wB97X-D/CEP-31G

States and conformations

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