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	hartrees
Energy at 0K	-264.912423
Energy at 298.15K	-264.916177
HF Energy	-264.912423
Nuclear repulsion energy	123.640166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3811	3617	18.46
2	A₁	1912	1815	495.28
3	A₁	1316	1249	40.03
4	A₁	1014	962	10.66
5	A₁	548	520	6.79
6	A₂	544	517	0.00
7	B₁	804	763	76.43
8	B₁	622	590	227.34
9	B₂	3808	3615	166.55
10	B₂	1523	1446	168.08
11	B₂	1191	1131	425.09
12	B₂	604	573	59.25

Atom	y (Å)	z (Å)
C1	0.000	0.097
O2	0.000	1.303
O3	1.084	-0.679
O4	-1.084	-0.679
H5	1.840	-0.074
H6	-1.840	-0.074

	C1	O2	O3	O4	H5	H6
C1		1.2055	1.3331	1.3331	1.8478	1.8478
O2	1.2055		2.2584	2.2584	2.2978	2.2978
O3	1.3331	2.2584		2.1684	0.9679	2.9859
O4	1.3331	2.2584	2.1684		2.9859	0.9679
H5	1.8478	2.2978	0.9679	2.9859		3.6798
H6	1.8478	2.2978	2.9859	0.9679	3.6798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	105.755	C1	O4	H6	105.755
O2	C1	O3	125.581	O2	C1	O4	125.581
O3	C1	O4	108.838

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

using model chemistry: B1B95/6-31G*

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	0.711
2	O	-0.478
3	O	-0.558
4	O	-0.558
5	H	0.441
6	H	0.441

	x	y	z	Total
	0.000	0.000	-0.060	0.060
CHELPG
AIM
ESP

<r²>	59.769
(<r²>)^1/2	7.731

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

using model chemistry: B1B95/6-31G*

States and conformations

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