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	hartrees
Energy at 0K	-378.094588
Energy at 298.15K	-378.098616
HF Energy	-378.094588
Nuclear repulsion energy	232.864711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3459	3435	0.00
2	A_g	1764	1752	0.00
3	A_g	1397	1388	0.00
4	A_g	1183	1174	0.00
5	A_g	798	793	0.00
6	A_g	548	544	0.00
7	A_g	385	383	0.00
8	A_u	734	729	159.81
9	A_u	441	438	38.22
10	A_u	129	128	5.60
11	B_g	804	798	0.00
12	B_g	732	727	0.00
13	B_u	3463	3439	230.27
14	B_u	1799	1787	377.87
15	B_u	1304	1295	746.64
16	B_u	1173	1165	15.38
17	B_u	647	643	19.25
18	B_u	247	246	58.22

Atom	x (Å)	y (Å)
C1	-0.056	0.770
C2	0.056	-0.770
O3	1.133	1.373
O4	-1.133	-1.373
O5	-1.133	1.330
O6	1.133	-1.330
H7	1.794	0.638
H8	-1.794	-0.638

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5443	1.3333	2.3991	1.2145	2.4137	1.8541	2.2369
C2	1.5443		2.3991	1.3333	2.4137	1.2145	2.2369	1.8541
O3	1.3333	2.3991		3.5612	2.2670	2.7037	0.9883	3.5515
O4	2.3991	1.3333	3.5612		2.7037	2.2670	3.5515	0.9883
O5	1.2145	2.4137	2.2670	2.7037		3.4953	3.0077	2.0763
O6	2.4137	1.2145	2.7037	2.2670	3.4953		2.0763	3.0077
H7	1.8541	2.2369	0.9883	3.5515	3.0077	2.0763		3.8075
H8	2.2369	1.8541	3.5515	0.9883	2.0763	3.0077	3.8075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.761	C1	C2	O6	121.608
C1	O3	H7	105.027	C2	C1	O3	112.761
C2	C1	O5	121.608	C2	O4	H8	105.027
O3	C1	O5	125.631	O4	C2	O6	125.631

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

using model chemistry: PBEPBE/cc-pVTZ

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	0.191
2	C	0.191
3	O	-0.161
4	O	-0.161
5	O	-0.253
6	O	-0.253
7	H	0.223
8	H	0.223

	x	y	z
x	7.075	-0.189	0.000
y	-0.189	5.791	0.000
z	0.000	0.000	3.188

<r²>	135.600
(<r²>)^1/2	11.645

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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