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	hartrees
Energy at 0K	-376.073848
Energy at 298.15K	-376.077994
HF Energy	-376.073848
Nuclear repulsion energy	231.969990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3363	3227	0.00
2	A_g	1795	1723	0.00
3	A_g	1390	1334	0.00
4	A_g	1205	1156	0.00
5	A_g	786	754	0.00
6	A_g	573	550	0.00
7	A_g	395	379	0.00
8	A_u	753	722	292.00
9	A_u	479	459	39.79
10	A_u	170	163	3.44
11	B_g	833	799	0.00
12	B_g	752	721	0.00
13	B_u	3366	3230	188.55
14	B_u	1844	1769	222.99
15	B_u	1293	1241	852.23
16	B_u	1206	1157	22.77
17	B_u	658	631	21.24
18	B_u	242	232	74.56

Atom	x (Å)	y (Å)
C1	-0.056	0.763
C2	0.056	-0.763
O3	1.148	1.359
O4	-1.148	-1.359
O5	-1.148	1.321
O6	1.148	-1.321
H7	1.838	0.628
H8	-1.838	-0.628

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5304	1.3433	2.3869	1.2264	2.4067	1.8989	2.2610
C2	1.5304		2.3869	1.3433	2.4067	1.2264	2.2610	1.8989
O3	1.3433	2.3869		3.5583	2.2966	2.6798	1.0055	3.5870
O4	2.3869	1.3433	3.5583		2.6798	2.2966	3.5870	1.0055
O5	1.2264	2.4067	2.2966	2.6798		3.5000	3.0657	2.0672
O6	2.4067	1.2264	2.6798	2.2966	3.5000		2.0672	3.0657
H7	1.8989	2.2610	1.0055	3.5870	3.0657	2.0672		3.8851
H8	2.2610	1.8989	3.5870	1.0055	2.0672	3.0657	3.8851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.156	C1	C2	O6	121.219
C1	O3	H7	107.008	C2	C1	O3	112.156
C2	C1	O5	121.219	C2	O4	H8	107.008
O3	C1	O5	126.625	O4	C2	O6	126.625

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

using model chemistry: B3PW91/3-21G*

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	0.627
2	C	0.627
3	O	-0.558
4	O	-0.558
5	O	-0.474
6	O	-0.474
7	H	0.404
8	H	0.404

	x	y	z
x	6.023	-0.313	0.000
y	-0.313	3.920	0.000
z	0.000	0.000	1.551

<r²>	135.932
(<r²>)^1/2	11.659

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

using model chemistry: B3PW91/3-21G*

States and conformations

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