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	hartrees
Energy at 0K	-378.039044
Energy at 298.15K	-378.043219
HF Energy	-378.039044
Nuclear repulsion energy	235.332430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3683	3533	0.00
2	A_g	1887	1810	0.00
3	A_g	1485	1425	0.00
4	A_g	1243	1193	0.00
5	A_g	850	815	0.00
6	A_g	576	553	0.00
7	A_g	411	394	0.00
8	A_u	724	695	204.34
9	A_u	467	448	54.17
10	A_u	134	128	5.91
11	B_g	838	804	0.00
12	B_g	720	691	0.00
13	B_u	3688	3538	282.20
14	B_u	1905	1828	485.01
15	B_u	1368	1312	839.83
16	B_u	1235	1185	8.42
17	B_u	684	656	23.94
18	B_u	266	255	59.36

Atom	x (Å)	y (Å)
C1	-0.052	0.767
C2	0.052	-0.767
O3	1.121	1.362
O4	-1.121	-1.362
O5	-1.121	1.313
O6	1.121	-1.313
H7	1.786	0.651
H8	-1.786	-0.651

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5368	1.3155	2.3819	1.2000	2.3876	1.8419	2.2398
C2	1.5368		2.3819	1.3155	2.3876	1.2000	2.2398	1.8419
O3	1.3155	2.3819		3.5279	2.2418	2.6752	0.9735	3.5360
O4	2.3819	1.3155	3.5279		2.6752	2.2418	3.5360	0.9735
O5	1.2000	2.3876	2.2418	2.6752		3.4525	2.9810	2.0741
O6	2.3876	1.2000	2.6752	2.2418	3.4525		2.0741	2.9810
H7	1.8419	2.2398	0.9735	3.5360	2.9810	2.0741		3.8022
H8	2.2398	1.8419	3.5360	0.9735	2.0741	2.9810	3.8022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.019	C1	C2	O6	120.988
C1	O3	H7	106.190	C2	C1	O3	113.019
C2	C1	O5	120.988	C2	O4	H8	106.190
O3	C1	O5	125.993	O4	C2	O6	125.993

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

using model chemistry: PBE1PBE/6-311G**

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	0.324
2	C	0.324
3	O	-0.263
4	O	-0.263
5	O	-0.334
6	O	-0.334
7	H	0.274
8	H	0.274

	x	y	z
x	6.311	-0.295	0.000
y	-0.295	4.688	0.000
z	0.000	0.000	2.546

<r²>	133.357
(<r²>)^1/2	11.548

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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