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	hartrees
Energy at 0K	-263.697805
Energy at 298.15K	-263.701503
HF Energy	-263.697805
Nuclear repulsion energy	123.362874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3721	3652	18.40
2	A₁	1867	1832	416.03
3	A₁	1242	1219	44.50
4	A₁	1000	981	6.72
5	A₁	530	520	7.83
6	A₂	532	522	0.00
7	B₁	777	763	65.19
8	B₁	611	600	213.17
9	B₂	3717	3647	159.07
10	B₂	1495	1467	172.06
11	B₂	1127	1106	383.99
12	B₂	581	570	64.04

Atom	y (Å)	z (Å)
C1	0.000	0.094
O2	0.000	1.307
O3	1.084	-0.681
O4	-1.084	-0.681
H5	1.838	-0.057
H6	-1.838	-0.057

	C1	O2	O3	O4	H5	H6
C1		1.2128	1.3329	1.3329	1.8438	1.8438
O2	1.2128		2.2644	2.2644	2.2881	2.2881
O3	1.3329	2.2644		2.1686	0.9785	2.9879
O4	1.3329	2.2644	2.1686		2.9879	0.9785
H5	1.8438	2.2881	0.9785	2.9879		3.6752
H6	1.8438	2.2881	2.9879	0.9785	3.6752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	104.780	C1	O4	H6	104.780
O2	C1	O3	125.558	O2	C1	O4	125.558
O3	C1	O4	108.884

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

using model chemistry: LSDA/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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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	0.563
2	O	-0.419
3	O	-0.429
4	O	-0.429
5	H	0.357
6	H	0.357

	x	y	z	Total
	0.000	0.000	-0.083	0.083
CHELPG
AIM
ESP

<r²>	59.898
(<r²>)^1/2	7.739

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

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

States and conformations

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