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	hartrees
Energy at 0K	-377.947592
Energy at 298.15K	-377.951601
HF Energy	-377.947592
Nuclear repulsion energy	232.329938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3453	3406	0.00
2	A_g	1788	1763	0.00
3	A_g	1423	1404	0.00
4	A_g	1196	1179	0.00
5	A_g	805	794	0.00
6	A_g	552	545	0.00
7	A_g	389	384	0.00
8	A_u	742	732	179.57
9	A_u	430	424	42.41
10	A_u	136	134	5.02
11	B_g	768	758	0.00
12	B_g	721	711	0.00
13	B_u	3458	3411	222.47
14	B_u	1822	1797	322.59
15	B_u	1321	1303	782.26
16	B_u	1192	1176	7.30
17	B_u	643	634	19.49
18	B_u	255	251	58.60

Atom	x (Å)	y (Å)
C1	-0.053	0.771
C2	0.053	-0.771
O3	1.139	1.370
O4	-1.139	-1.370
O5	-1.139	1.332
O6	1.139	-1.332
H7	1.792	0.622
H8	-1.792	-0.622

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5453	1.3345	2.4006	1.2228	2.4173	1.8509	2.2281
C2	1.5453		2.4006	1.3345	2.4173	1.2228	2.2281	1.8509
O3	1.3345	2.4006		3.5637	2.2793	2.7018	0.9921	3.5443
O4	2.4006	1.3345	3.5637		2.7018	2.2793	3.5443	0.9921
O5	1.2228	2.4173	2.2793	2.7018		3.5057	3.0160	2.0603
O6	2.4173	1.2228	2.7018	2.2793	3.5057		2.0603	3.0160
H7	1.8509	2.2281	0.9921	3.5443	3.0160	2.0603		3.7937
H8	2.2281	1.8509	3.5443	0.9921	2.0603	3.0160	3.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.736	C1	C2	O6	121.253
C1	O3	H7	104.440	C2	C1	O3	112.736
C2	C1	O5	121.253	C2	O4	H8	104.440
O3	C1	O5	126.012	O4	C2	O6	126.012

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

using model chemistry: PBEPBE/6-31G**

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	0.511
2	C	0.511
3	O	-0.427
4	O	-0.427
5	O	-0.428
6	O	-0.428
7	H	0.344
8	H	0.344

	x	y	z
x	6.600	-0.185	0.000
y	-0.185	4.962	0.000
z	0.000	0.000	2.390

<r²>	135.610
(<r²>)^1/2	11.645

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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