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	hartrees
Energy at 0K	-376.105723
Energy at 298.15K	-376.109904
HF Energy	-376.105723
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3484	3484	0.00
2	A_g	1843	1843	0.00
3	A_g	1404	1404	0.00
4	A_g	1229	1229	0.00
5	A_g	796	796	0.00
6	A_g	576	576	0.00
7	A_g	407	407	0.00
8	A_u	726	726	316.03
9	A_u	485	485	46.44
10	A_u	165	165	4.16
11	B_g	840	840	0.00
12	B_g	726	726	0.00
13	B_u	3486	3486	202.85
14	B_u	1880	1880	258.73
15	B_u	1302	1302	896.58
16	B_u	1229	1229	11.82
17	B_u	674	674	22.00
18	B_u	251	251	70.88

Atom	x (Å)	y (Å)
C1	-0.055	0.765
C2	0.055	-0.765
O3	1.142	1.364
O4	-1.142	-1.364
O5	-1.142	1.321
O6	1.142	-1.321
H7	1.846	0.660
H8	-1.846	-0.660

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5341	1.3383	2.3903	1.2207	2.4054	1.9045	2.2888
C2	1.5341		2.3903	1.3383	2.4054	1.2207	2.2888	1.9045
O3	1.3383	2.3903		3.5574	2.2836	2.6855	0.9965	3.6088
O4	2.3903	1.3383	3.5574		2.6855	2.2836	3.6088	0.9965
O5	1.2207	2.4054	2.2836	2.6855		3.4926	3.0605	2.1028
O6	2.4054	1.2207	2.6855	2.2836	3.4926		2.1028	3.0605
H7	1.9045	2.2888	0.9965	3.6088	3.0605	2.1028		3.9214
H8	2.2888	1.9045	3.6088	0.9965	2.1028	3.0605	3.9214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	112.467	C1	C2	O6	121.241
C1	O3	H7	108.429	C2	C1	O3	112.467
C2	C1	O5	121.241	C2	O4	H8	108.429
O3	C1	O5	126.293	O4	C2	O6	126.293

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

using model chemistry: wB97X-D/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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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	0.645
2	C	0.645
3	O	-0.575
4	O	-0.575
5	O	-0.482
6	O	-0.482
7	H	0.412
8	H	0.412

	x	y	z
x	5.895	-0.367	0.000
y	-0.367	3.753	0.000
z	0.000	0.000	1.528

<r²>	135.874
(<r²>)^1/2	11.656

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

using model chemistry: wB97X-D/3-21G

States and conformations

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