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	hartrees
Energy at 0K	-378.350966
Energy at 298.15K	-378.355001
HF Energy	-378.350966
Nuclear repulsion energy	233.027121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3655	3524	0.00
2	A_g	1836	1770	0.00
3	A_g	1437	1386	0.00
4	A_g	1213	1170	0.00
5	A_g	822	792	0.00
6	A_g	558	538	0.00
7	A_g	404	390	0.00
8	A_u	691	667	215.06
9	A_u	460	443	65.49
10	A_u	121	117	7.25
11	B_g	805	776	0.00
12	B_g	681	657	0.00
13	B_u	3658	3527	260.05
14	B_u	1856	1790	504.84
15	B_u	1324	1277	837.84
16	B_u	1206	1163	5.24
17	B_u	665	642	21.83
18	B_u	259	250	55.04

Atom	x (Å)	y (Å)
C1	-0.051	0.772
C2	0.051	-0.772
O3	1.126	1.384
O4	-1.126	-1.384
O5	-1.126	1.328
O6	1.126	-1.328
H7	1.823	0.698
H8	-1.823	-0.698

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5470	1.3273	2.4093	1.2105	2.4074	1.8760	2.3021
C2	1.5470		2.4093	1.3273	2.4074	1.2105	2.3021	1.8760
O3	1.3273	2.4093		3.5692	2.2534	2.7122	0.9783	3.6104
O4	2.4093	1.3273	3.5692		2.7122	2.2534	3.6104	0.9783
O5	1.2105	2.4074	2.2534	2.7122		3.4826	3.0162	2.1423
O6	2.4074	1.2105	2.7122	2.2534	3.4826		2.1423	3.0162
H7	1.8760	2.3021	0.9783	3.6104	3.0162	2.1423		3.9045
H8	2.3021	1.8760	3.6104	0.9783	2.1423	3.0162	3.9045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.680	C1	C2	O6	121.151
C1	O3	H7	107.955	C2	C1	O3	113.680
C2	C1	O5	121.151	C2	O4	H8	107.955
O3	C1	O5	125.168	O4	C2	O6	125.168

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

using model chemistry: B3LYP/6-31+G**

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	0.511
2	C	0.511
3	O	-0.412
4	O	-0.412
5	O	-0.479
6	O	-0.479
7	H	0.380
8	H	0.380

	x	y	z
x	7.294	-0.359	0.000
y	-0.359	5.776	0.000
z	0.000	0.000	3.366

<r²>	136.489
(<r²>)^1/2	11.683

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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