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	hartrees
Energy at 0K	-378.301655
Energy at 298.15K	-378.305657
HF Energy	-378.301655
Nuclear repulsion energy	231.802736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3454	3435	0.00
2	A_g	1758	1749	0.00
3	A_g	1393	1385	0.00
4	A_g	1182	1175	0.00
5	A_g	786	782	0.00
6	A_g	547	544	0.00
7	A_g	390	387	0.00
8	A_u	726	722	150.98
9	A_u	438	435	39.97
10	A_u	130	130	4.93
11	B_g	793	788	0.00
12	B_g	719	715	0.00
13	B_u	3458	3439	193.27
14	B_u	1792	1782	309.96
15	B_u	1311	1304	711.64
16	B_u	1160	1154	40.90
17	B_u	642	638	17.94
18	B_u	255	253	53.18

Atom	x (Å)	y (Å)
C1	-0.057	0.774
C2	0.057	-0.774
O3	1.137	1.383
O4	-1.137	-1.383
O5	-1.137	1.336
O6	1.137	-1.336
H7	1.803	0.652
H8	-1.803	-0.652

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5523	1.3411	2.4125	1.2176	2.4250	1.8640	2.2536
C2	1.5523		2.4125	1.3411	2.4250	1.2176	2.2536	1.8640
O3	1.3411	2.4125		3.5815	2.2754	2.7194	0.9886	3.5756
O4	2.4125	1.3411	3.5815		2.7194	2.2754	3.5756	0.9886
O5	1.2176	2.4250	2.2754	2.7194		3.5095	3.0186	2.0964
O6	2.4250	1.2176	2.7194	2.2754	3.5095		2.0964	3.0186
H7	1.8640	2.2536	0.9886	3.5756	3.0186	2.0964		3.8337
H8	2.2536	1.8640	3.5756	0.9886	2.0964	3.0186	3.8337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.770	C1	C2	O6	121.740
C1	O3	H7	105.278	C2	C1	O3	112.770
C2	C1	O5	121.740	C2	O4	H8	105.278
O3	C1	O5	125.491	O4	C2	O6	125.491

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

using model chemistry: BLYP/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.289
2	C	0.289
3	O	-0.297
4	O	-0.297
5	O	-0.299
6	O	-0.299
7	H	0.307
8	H	0.307

	x	y	z
x	6.762	-0.159	0.000
y	-0.159	5.419	0.000
z	0.000	0.000	2.924

<r²>	136.330
(<r²>)^1/2	11.676

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

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

States and conformations

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