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	hartrees
Energy at 0K	-378.029120
Energy at 298.15K	-378.033128
HF Energy	-378.029120
Nuclear repulsion energy	231.123881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3552	3402	0.00
2	A_g	1781	1706	0.00
3	A_g	1381	1323	0.00
4	A_g	1207	1156	0.00
5	A_g	812	778	0.00
6	A_g	558	535	0.00
7	A_g	409	392	0.00
8	A_u	688	659	333.03
9	A_u	447	428	65.03
10	A_u	132	126	7.17
11	B_g	771	738	0.00
12	B_g	674	646	0.00
13	B_u	3552	3402	192.82
14	B_u	1807	1731	317.13
15	B_u	1261	1208	848.68
16	B_u	1201	1150	8.06
17	B_u	656	628	20.30
18	B_u	260	249	63.38

Atom	x (Å)	y (Å)
C1	-0.050	0.762
C2	0.050	-0.762
O3	1.141	1.385
O4	-1.141	-1.385
O5	-1.141	1.330
O6	1.141	-1.330
H7	1.879	0.732
H8	-1.879	-0.732

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5267	1.3443	2.4079	1.2297	2.4072	1.9294	2.3610
C2	1.5267		2.4079	1.3443	2.4072	1.2297	2.3610	1.9294
O3	1.3443	2.4079		3.5887	2.2819	2.7155	0.9858	3.6877
O4	2.4079	1.3443	3.5887		2.7155	2.2819	3.6877	0.9858
O5	1.2297	2.4072	2.2819	2.7155		3.5047	3.0782	2.1904
O6	2.4072	1.2297	2.7155	2.2819	3.5047		2.1904	3.0782
H7	1.9294	2.3610	0.9858	3.6877	3.0782	2.1904		4.0328
H8	2.3610	1.9294	3.6877	0.9858	2.1904	3.0782	4.0328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.854	C1	C2	O6	121.325
C1	O3	H7	110.859	C2	C1	O3	113.854
C2	C1	O5	121.325	C2	O4	H8	110.859
O3	C1	O5	124.820	O4	C2	O6	124.820

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

using model chemistry: B3PW91/6-31G

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	0.506
2	C	0.506
3	O	-0.540
4	O	-0.540
5	O	-0.398
6	O	-0.398
7	H	0.432
8	H	0.432

	x	y	z
x	6.616	-0.378	0.000
y	-0.378	4.350	0.000
z	0.000	0.000	1.931

<r²>	137.920
(<r²>)^1/2	11.744

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

using model chemistry: B3PW91/6-31G

States and conformations

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