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	hartrees
Energy at 0K	-378.358911
Energy at 298.15K	-378.363051
HF Energy	-378.358911
Nuclear repulsion energy	233.733190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3577	3470	0.00
2	A_g	1850	1794	0.00
3	A_g	1470	1425	0.00
4	A_g	1234	1197	0.00
5	A_g	832	807	0.00
6	A_g	568	551	0.00
7	A_g	403	391	0.00
8	A_u	723	701	180.55
9	A_u	464	450	45.24
10	A_u	138	134	5.60
11	B_g	834	809	0.00
12	B_g	722	700	0.00
13	B_u	3582	3475	260.33
14	B_u	1868	1812	419.35
15	B_u	1360	1319	806.61
16	B_u	1217	1180	10.98
17	B_u	671	651	20.97
18	B_u	258	251	56.88

Atom	x (Å)	y (Å)
C1	-0.053	0.768
C2	0.053	-0.768
O3	1.128	1.372
O4	-1.128	-1.372
O5	-1.128	1.323
O6	1.128	-1.323
H7	1.795	0.650
H8	-1.795	-0.650

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5405	1.3268	2.3953	1.2092	2.4018	1.8518	2.2462
C2	1.5405		2.3953	1.3268	2.4018	1.2092	2.2462	1.8518
O3	1.3268	2.3953		3.5527	2.2566	2.6950	0.9826	3.5544
O4	2.3953	1.3268	3.5527		2.6950	2.2566	3.5544	0.9826
O5	1.2092	2.4018	2.2566	2.6950		3.4768	2.9991	2.0828
O6	2.4018	1.2092	2.6950	2.2566	3.4768		2.0828	2.9991
H7	1.8518	2.2462	0.9826	3.5544	2.9991	2.0828		3.8179
H8	2.2462	1.8518	3.5544	0.9826	2.0828	2.9991	3.8179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.102	C1	C2	O6	121.256
C1	O3	H7	105.656	C2	C1	O3	113.102
C2	C1	O5	121.256	C2	O4	H8	105.656
O3	C1	O5	125.642	O4	C2	O6	125.642

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

using model chemistry: B3LYPultrafine/cc-pVDZ

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	0.155
2	C	0.155
3	O	-0.108
4	O	-0.108
5	O	-0.217
6	O	-0.217
7	H	0.171
8	H	0.171

	x	y	z
x	6.252	-0.237	0.000
y	-0.237	4.652	0.000
z	0.000	0.000	2.347

<r²>	134.569
(<r²>)^1/2	11.600

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

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

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