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	hartrees
Energy at 0K	-376.214221
Energy at 298.15K	-376.218386
HF Energy	-376.214221
Nuclear repulsion energy	231.478251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3335	3218	0.00
2	A_g	1780	1718	0.00
3	A_g	1386	1338	0.00
4	A_g	1201	1158	0.00
5	A_g	779	751	0.00
6	A_g	572	552	0.00
7	A_g	401	387	0.00
8	A_u	741	715	279.66
9	A_u	476	459	39.81
10	A_u	170	164	3.13
11	B_g	828	799	0.00
12	B_g	739	713	0.00
13	B_u	3337	3220	164.47
14	B_u	1828	1764	213.87
15	B_u	1298	1253	808.56
16	B_u	1194	1152	51.59
17	B_u	657	634	20.32
18	B_u	256	247	68.82

Atom	x (Å)	y (Å)
C1	-0.057	0.764
C2	0.057	-0.764
O3	1.149	1.366
O4	-1.149	-1.366
O5	-1.149	1.323
O6	1.149	-1.323
H7	1.844	0.636
H8	-1.844	-0.636

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5330	1.3476	2.3942	1.2271	2.4106	1.9044	2.2705
C2	1.5330		2.3942	1.3476	2.4106	1.2271	2.2705	1.9044
O3	1.3476	2.3942		3.5701	2.2991	2.6886	1.0070	3.6008
O4	2.3942	1.3476	3.5701		2.6886	2.2991	3.6008	1.0070
O5	1.2271	2.4106	2.2991	2.6886		3.5047	3.0706	2.0785
O6	2.4106	1.2271	2.6886	2.2991	3.5047		2.0785	3.0706
H7	1.9044	2.2705	1.0070	3.6008	3.0706	2.0785		3.9005
H8	2.2705	1.9044	3.6008	1.0070	2.0785	3.0706	3.9005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.269	C1	C2	O6	121.303
C1	O3	H7	107.076	C2	C1	O3	112.269
C2	C1	O5	121.303	C2	O4	H8	107.076
O3	C1	O5	126.428	O4	C2	O6	126.428

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

using model chemistry: B3LYPultrafine/3-21G

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	0.621
2	C	0.621
3	O	-0.545
4	O	-0.545
5	O	-0.466
6	O	-0.466
7	H	0.390
8	H	0.390

	x	y	z
x	6.072	-0.308	0.000
y	-0.308	3.956	0.000
z	0.000	0.000	1.541

<r²>	136.471
(<r²>)^1/2	11.682

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

using model chemistry: B3LYPultrafine/3-21G

States and conformations

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