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	hartrees
Energy at 0K	-265.073174
Energy at 298.15K	-265.076935
HF Energy	-265.073174
Nuclear repulsion energy	123.313261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3787	3660	7.04
2	A₁	1853	1791	519.22
3	A₁	1318	1274	28.66
4	A₁	980	947	15.10
5	A₁	550	531	6.19
6	A₂	542	524	0.00
7	B₁	805	778	79.26
8	B₁	622	601	240.38
9	B₂	3785	3658	124.82
10	B₂	1474	1424	104.25
11	B₂	1173	1134	506.32
12	B₂	606	586	53.28

Atom	y (Å)	z (Å)
C1	0.000	0.101
O2	0.000	1.305
O3	1.088	-0.679
O4	-1.088	-0.679
H5	1.854	-0.089
H6	-1.854	-0.089

	C1	O2	O3	O4	H5	H6
C1		1.2034	1.3394	1.3394	1.8633	1.8633
O2	1.2034		2.2630	2.2630	2.3193	2.3193
O3	1.3394	2.2630		2.1768	0.9661	3.0005
O4	1.3394	2.2630	2.1768		3.0005	0.9661
H5	1.8633	2.3193	0.9661	3.0005		3.7071
H6	1.8633	2.3193	3.0005	0.9661	3.7071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	106.721	C1	O4	H6	106.721
O2	C1	O3	125.651	O2	C1	O4	125.651
O3	C1	O4	108.698

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	0.487
2	O	-0.363
3	O	-0.471
4	O	-0.471
5	H	0.409
6	H	0.409

	x	y	z	Total
	0.000	0.000	0.054	0.054
CHELPG
AIM
ESP

<r²>	60.360
(<r²>)^1/2	7.769

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

using model chemistry: B3LYP/6-311G*

States and conformations

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