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	hartrees
Energy at 0K	-376.434348
Energy at 298.15K	-376.438523
HF Energy	-376.434348
Nuclear repulsion energy	235.680804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3292	3231	0.00
2	A_g	1840	1805	0.00
3	A_g	1495	1467	0.00
4	A_g	1225	1202	0.00
5	A_g	847	831	0.00
6	A_g	576	566	0.00
7	A_g	398	391	0.00
8	A_u	817	802	194.40
9	A_u	436	428	38.77
10	A_u	156	153	4.11
11	B_g	821	805	0.00
12	B_g	761	747	0.00
13	B_u	3304	3242	320.73
14	B_u	1884	1849	335.00
15	B_u	1373	1347	802.25
16	B_u	1250	1227	27.33
17	B_u	656	643	19.53
18	B_u	273	268	69.05

Atom	x (Å)	y (Å)
C1	-0.048	0.759
C2	0.048	-0.759
O3	1.134	1.327
O4	-1.134	-1.327
O5	-1.134	1.305
O6	1.134	-1.305
H7	1.766	0.546
H8	-1.766	-0.546

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5210	1.3119	2.3515	1.2156	2.3788	1.8268	2.1573
C2	1.5210		2.3515	1.3119	2.3788	1.2156	2.1573	1.8268
O3	1.3119	2.3515		3.4912	2.2690	2.6316	1.0041	3.4526
O4	2.3515	1.3119	3.4912		2.6316	2.2690	3.4526	1.0041
O5	1.2156	2.3788	2.2690	2.6316		3.4582	2.9982	1.9558
O6	2.3788	1.2156	2.6316	2.2690	3.4582		1.9558	2.9982
H7	1.8268	2.1573	1.0041	3.4526	2.9982	1.9558		3.6972
H8	2.1573	1.8268	3.4526	1.0041	1.9558	2.9982	3.6972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	111.998	C1	C2	O6	120.329
C1	O3	H7	103.340	C2	C1	O3	111.998
C2	C1	O5	120.329	C2	O4	H8	103.340
O3	C1	O5	127.674	O4	C2	O6	127.674

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

using model chemistry: LSDA/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	0.462
2	C	0.462
3	O	-0.497
4	O	-0.497
5	O	-0.409
6	O	-0.409
7	H	0.444
8	H	0.444

	x	y	z
x	6.434	-0.151	0.000
y	-0.151	4.787	0.000
z	0.000	0.000	2.346

<r²>	131.738
(<r²>)^1/2	11.478

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

using model chemistry: LSDA/6-31G*

States and conformations

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