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	hartrees
Energy at 0K	-265.004937
Energy at 298.15K	-265.008662
HF Energy	-265.004937
Nuclear repulsion energy	122.961814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3813	3663	15.19
2	A₁	1866	1793	467.20
3	A₁	1301	1250	37.90
4	A₁	989	950	11.92
5	A₁	544	523	6.78
6	A₂	530	509	0.00
7	B₁	788	757	69.32
8	B₁	607	583	217.97
9	B₂	3810	3661	148.07
10	B₂	1492	1434	137.09
11	B₂	1167	1121	441.74
12	B₂	599	576	52.79

Atom	y (Å)	z (Å)
C1	0.000	0.099
O2	0.000	1.310
O3	1.091	-0.683
O4	-1.091	-0.683
H5	1.849	-0.079
H6	-1.849	-0.079

	C1	O2	O3	O4	H5	H6
C1		1.2106	1.3421	1.3421	1.8571	1.8571
O2	1.2106		2.2716	2.2716	2.3120	2.3120
O3	1.3421	2.2716		2.1815	0.9690	3.0007
O4	1.3421	2.2716	2.1815		3.0007	0.9690
H5	1.8571	2.3120	0.9690	3.0007		3.6971
H6	1.8571	2.3120	3.0007	0.9690	3.6971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	105.811	C1	O4	H6	105.811
O2	C1	O3	125.638	O2	C1	O4	125.638
O3	C1	O4	108.724

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

using model chemistry: B3LYP/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	0.710
2	O	-0.471
3	O	-0.459
4	O	-0.459
5	H	0.340
6	H	0.340

	x	y	z	Total
	0.000	0.000	-0.106	0.106
CHELPG
AIM
ESP

<r²>	60.346
(<r²>)^1/2	7.768

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

using model chemistry: B3LYP/6-31G**

States and conformations

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