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	hartrees
Energy at 0K	-264.993888
Energy at 298.15K	-264.997616
HF Energy	-264.993888
Nuclear repulsion energy	122.888524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3747	3590	14.13
2	A₁	1869	1791	470.94
3	A₁	1313	1258	35.23
4	A₁	987	945	12.05
5	A₁	544	521	6.61
6	A₂	537	515	0.00
7	B₁	788	755	73.08
8	B₁	616	591	219.88
9	B₂	3744	3587	143.32
10	B₂	1495	1432	125.70
11	B₂	1174	1125	450.95
12	B₂	599	574	52.86

Atom	y (Å)	z (Å)
C1	0.000	0.100
O2	0.000	1.310
O3	1.091	-0.683
O4	-1.091	-0.683
H5	1.851	-0.077
H6	-1.851	-0.077

	C1	O2	O3	O4	H5	H6
C1		1.2105	1.3428	1.3428	1.8595	1.8595
O2	1.2105		2.2724	2.2724	2.3130	2.3130
O3	1.3428	2.2724		2.1820	0.9723	3.0039
O4	1.3428	2.2724	2.1820		3.0039	0.9723
H5	1.8595	2.3130	0.9723	3.0039		3.7022
H6	1.8595	2.3130	3.0039	0.9723	3.7022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	105.754	C1	O4	H6	105.754
O2	C1	O3	125.663	O2	C1	O4	125.663
O3	C1	O4	108.675

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

using model chemistry: B3LYPultrafine/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	0.696
2	O	-0.469
3	O	-0.542
4	O	-0.542
5	H	0.428
6	H	0.428

	x	y	z	Total
	0.000	0.000	-0.061	0.061
CHELPG
AIM
ESP

<r²>	60.413
(<r²>)^1/2	7.773

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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