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	hartrees
Energy at 0K	-374.352768
Energy at 298.15K	-374.357075
HF Energy	-374.352768
Nuclear repulsion energy	234.101259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2956	2907	0.00
2	A_g	1751	1722	0.00
3	A_g	1427	1403	0.00
4	A_g	1189	1169	0.00
5	A_g	806	793	0.00
6	A_g	595	585	0.00
7	A_g	385	378	0.00
8	A_u	870	856	242.67
9	A_u	460	452	24.39
10	A_u	198	195	1.66
11	B_g	878	863	0.00
12	B_g	813	800	0.00
13	B_u	2969	2920	273.89
14	B_u	1842	1812	176.52
15	B_u	1315	1293	835.97
16	B_u	1228	1208	4.83
17	B_u	649	639	18.01
18	B_u	273	268	87.96

Atom	x (Å)	y (Å)
C1	-0.050	0.754
C2	0.050	-0.754
O3	1.158	1.309
O4	-1.158	-1.309
O5	-1.158	1.297
O6	1.158	-1.297
H7	1.791	0.485
H8	-1.791	-0.485

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5110	1.3291	2.3416	1.2338	2.3795	1.8607	2.1372
C2	1.5110		2.3416	1.3291	2.3795	1.2338	2.1372	1.8607
O3	1.3291	2.3416		3.4951	2.3156	2.6055	1.0395	3.4519
O4	2.3416	1.3291	3.4951		2.6055	2.3156	3.4519	1.0395
O5	1.2338	2.3795	2.3156	2.6055		3.4764	3.0588	1.8907
O6	2.3795	1.2338	2.6055	2.3156	3.4764		1.8907	3.0588
H7	1.8607	2.1372	1.0395	3.4519	3.0588	1.8907		3.7116
H8	2.1372	1.8607	3.4519	1.0395	1.8907	3.0588	3.7116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	110.912	C1	C2	O6	119.870
C1	O3	H7	102.863	C2	C1	O3	110.912
C2	C1	O5	119.870	C2	O4	H8	102.863
O3	C1	O5	129.218	O4	C2	O6	129.218

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

using model chemistry: LSDA/3-21G

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	0.530
2	C	0.530
3	O	-0.494
4	O	-0.494
5	O	-0.418
6	O	-0.418
7	H	0.382
8	H	0.382

	x	y	z
x	6.126	-0.138	0.000
y	-0.138	4.109	0.000
z	0.000	0.000	1.568

<r²>	132.630
(<r²>)^1/2	11.517

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

using model chemistry: LSDA/3-21G

States and conformations

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