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	hartrees
Energy at 0K	-376.418652
Energy at 298.15K	-376.423030
HF Energy	-376.418652
Nuclear repulsion energy	237.448757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	4062	3678	0.00
2	A_g	2068	1873	0.00
3	A_g	1609	1457	0.00
4	A_g	1353	1225	0.00
5	A_g	916	829	0.00
6	A_g	614	556	0.00
7	A_g	455	412	0.00
8	A_u	702	636	227.53
9	A_u	534	484	80.75
10	A_u	125	113	7.88
11	B_g	950	860	0.00
12	B_g	698	632	0.00
13	B_u	4065	3681	334.99
14	B_u	2059	1865	657.99
15	B_u	1469	1330	964.88
16	B_u	1319	1194	13.11
17	B_u	742	672	30.22
18	B_u	298	270	51.91

Atom	x (Å)	y (Å)
C1	-0.052	0.767
C2	0.052	-0.767
O3	1.102	1.371
O4	-1.102	-1.371
O5	-1.102	1.299
O6	1.102	-1.299
H7	1.796	0.723
H8	-1.796	-0.723

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5377	1.3018	2.3818	1.1776	2.3667	1.8484	2.2948
C2	1.5377		2.3818	1.3018	2.3667	1.1776	2.2948	1.8484
O3	1.3018	2.3818		3.5172	2.2051	2.6700	0.9491	3.5756
O4	2.3818	1.3018	3.5172		2.6700	2.2051	3.5756	0.9491
O5	1.1776	2.3667	2.2051	2.6700		3.4076	2.9550	2.1387
O6	2.3667	1.1776	2.6700	2.2051	3.4076		2.1387	2.9550
H7	1.8484	2.2948	0.9491	3.5756	2.9550	2.1387		3.8731
H8	2.2948	1.8484	3.5756	0.9491	2.1387	2.9550	3.8731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	113.770	C1	C2	O6	120.714
C1	O3	H7	109.404	C2	C1	O3	113.770
C2	C1	O5	120.714	C2	O4	H8	109.404
O3	C1	O5	125.515	O4	C2	O6	125.515

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

using model chemistry: HF/6-31G(2df,p)

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	0.536
2	C	0.536
3	O	-0.479
4	O	-0.479
5	O	-0.441
6	O	-0.441
7	H	0.385
8	H	0.385

	x	y	z
x	5.734	-0.388	0.000
y	-0.388	4.476	0.000
z	0.000	0.000	2.793

<r²>	131.927
(<r²>)^1/2	11.486

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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