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	hartrees
Energy at 0K	-265.121954
Energy at 298.15K	-265.125684
HF Energy	-265.121954
Nuclear repulsion energy	123.295505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3789	3666	13.40
2	A₁	1817	1758	550.79
3	A₁	1288	1247	31.03
4	A₁	975	944	16.99
5	A₁	547	529	7.18
6	A₂	521	504	0.00
7	B₁	800	774	51.40
8	B₁	592	573	204.65
9	B₂	3787	3663	189.02
10	B₂	1453	1406	122.47
11	B₂	1150	1113	450.69
12	B₂	601	582	45.58

Atom	y (Å)	z (Å)
C1	0.000	0.102
O2	0.000	1.305
O3	1.088	-0.679
O4	-1.088	-0.679
H5	1.854	-0.091
H6	-1.854	-0.091

	C1	O2	O3	O4	H5	H6
C1		1.2034	1.3397	1.3397	1.8644	1.8644
O2	1.2034		2.2634	2.2634	2.3212	2.3212
O3	1.3397	2.2634		2.1768	0.9660	3.0010
O4	1.3397	2.2634	2.1768		3.0010	0.9660
H5	1.8644	2.3212	0.9660	3.0010		3.7088
H6	1.8644	2.3212	3.0010	0.9660	3.7088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	106.802	C1	O4	H6	106.802
O2	C1	O3	125.668	O2	C1	O4	125.668
O3	C1	O4	108.665

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

using model chemistry: B3LYP/aug-cc-pVTZ

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	0.555
2	O	-0.484
3	O	-0.235
4	O	-0.235
5	H	0.199
6	H	0.199

	x	y	z	Total
	0.000	0.000	-0.306	0.306
CHELPG
AIM
ESP

<r²>	60.666
(<r²>)^1/2	7.789

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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