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	hartrees
Energy at 0K	-264.791150
Energy at 298.15K	-264.794825
HF Energy	-264.791150
Nuclear repulsion energy	121.200478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3698	3541	1.43
2	A₁	1759	1685	416.04
3	A₁	1266	1213	43.68
4	A₁	962	922	12.33
5	A₁	534	512	9.10
6	A₂	521	499	0.00
7	B₁	751	719	77.93
8	B₁	608	582	338.60
9	B₂	3695	3539	149.45
10	B₂	1501	1438	126.46
11	B₂	1103	1056	466.49
12	B₂	585	560	58.30

Atom	y (Å)	z (Å)
C1	0.000	0.101
O2	0.000	1.334
O3	1.103	-0.688
O4	-1.103	-0.688
H5	1.907	-0.134
H6	-1.907	-0.134

	C1	O2	O3	O4	H5	H6
C1		1.2327	1.3566	1.3566	1.9220	1.9220
O2	1.2327		2.3038	2.3038	2.4073	2.4073
O3	1.3566	2.3038		2.2058	0.9769	3.0610
O4	1.3566	2.3038	2.2058		3.0610	0.9769
H5	1.9220	2.4073	0.9769	3.0610		3.8150
H6	1.9220	2.4073	3.0610	0.9769	3.8150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	109.837	C1	O4	H6	109.837
O2	C1	O3	125.609	O2	C1	O4	125.609
O3	C1	O4	108.782

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

using model chemistry: B3PW91/6-31G

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	0.636
2	O	-0.411
3	O	-0.529
4	O	-0.529
5	H	0.417
6	H	0.417

	x	y	z	Total
	0.000	0.000	0.228	0.228
CHELPG
AIM
ESP

<r²>	62.211
(<r²>)^1/2	7.887

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

using model chemistry: B3PW91/6-31G

States and conformations

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