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	hartrees
Energy at 0K	-376.160605
Energy at 298.15K	-376.164633
HF Energy	-376.160605
Nuclear repulsion energy	228.947779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3106	3086	0.00
2	A_g	1674	1663	0.00
3	A_g	1347	1338	0.00
4	A_g	1130	1122	0.00
5	A_g	737	732	0.00
6	A_g	553	550	0.00
7	A_g	381	378	0.00
8	A_u	751	746	227.92
9	A_u	454	451	30.97
10	A_u	169	167	2.48
11	B_g	796	791	0.00
12	B_g	746	741	0.00
13	B_u	3108	3088	125.58
14	B_u	1742	1731	150.89
15	B_u	1273	1264	695.39
16	B_u	1125	1117	71.62
17	B_u	624	620	18.19
18	B_u	247	246	66.90

Atom	x (Å)	y (Å)
C1	-0.060	0.770
C2	0.060	-0.770
O3	1.165	1.377
O4	-1.165	-1.377
O5	-1.165	1.338
O6	1.165	-1.338
H7	1.841	0.607
H8	-1.841	-0.607

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5451	1.3670	2.4153	1.2424	2.4378	1.9077	2.2513
C2	1.5451		2.4153	1.3670	2.4378	1.2424	2.2513	1.9077
O3	1.3670	2.4153		3.6079	2.3304	2.7149	1.0251	3.6016
O4	2.4153	1.3670	3.6079		2.7149	2.3304	3.6016	1.0251
O5	1.2424	2.4378	2.3304	2.7149		3.5477	3.0935	2.0584
O6	2.4378	1.2424	2.7149	2.3304	3.5477		2.0584	3.0935
H7	1.9077	2.2513	1.0251	3.6016	3.0935	2.0584		3.8766
H8	2.2513	1.9077	3.6016	1.0251	2.0584	3.0935	3.8766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	111.933	C1	C2	O6	121.607
C1	O3	H7	104.883	C2	C1	O3	111.933
C2	C1	O5	121.607	C2	O4	H8	104.883
O3	C1	O5	126.460	O4	C2	O6	126.460

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

using model chemistry: BLYP/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	0.556
2	C	0.556
3	O	-0.489
4	O	-0.489
5	O	-0.430
6	O	-0.430
7	H	0.363
8	H	0.363

	x	y	z
x	6.371	-0.188	0.000
y	-0.188	4.350	0.000
z	0.000	0.000	1.578

<r²>	138.700
(<r²>)^1/2	11.777

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

using model chemistry: BLYP/3-21G*

States and conformations

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