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	hartrees
Energy at 0K	-264.451116
Energy at 298.15K	-264.454912
HF Energy	-263.729138
Nuclear repulsion energy	123.903835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3927	3751	16.77
2	A₁	1933	1846	534.32
3	A₁	1359	1298	23.81
4	A₁	1016	971	19.74
5	A₁	566	541	4.37
6	A₂	530	506	0.00
7	B₁	825	788	66.90
8	B₁	605	578	225.21
9	B₂	3925	3748	167.68
10	B₂	1528	1459	148.34
11	B₂	1230	1175	466.98
12	B₂	626	597	55.79

Atom	y (Å)	z (Å)
C1	0.000	0.101
O2	0.000	1.298
O3	1.084	-0.677
O4	-1.084	-0.677
H5	1.833	-0.076
H6	-1.833	-0.076

	C1	O2	O3	O4	H5	H6
C1		1.1974	1.3346	1.3346	1.8416	1.8416
O2	1.1974		2.2535	2.2535	2.2912	2.2912
O3	1.3346	2.2535		2.1685	0.9601	2.9785
O4	1.3346	2.2535	2.1685		2.9785	0.9601
H5	1.8416	2.2912	0.9601	2.9785		3.6661
H6	1.8416	2.2912	2.9785	0.9601	3.6661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	105.585	C1	O4	H6	105.585
O2	C1	O3	125.667	O2	C1	O4	125.667
O3	C1	O4	108.666

All results from a given calculation for H₂CO₃ (Carbonic acid)

using model chemistry: CCD/6-311G**

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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All results from a given calculation for H2CO3 (Carbonic acid)

using model chemistry: CCD/6-311G**

States and conformations

All results from a given calculation for H₂CO₃ (Carbonic acid)