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	hartrees
Energy at 0K	-264.982826
Energy at 298.15K	-264.986585
HF Energy	-264.982826
Nuclear repulsion energy	123.649561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3845	3703	20.57
2	A₁	1872	1802	515.54
3	A₁	1303	1255	27.71
4	A₁	996	959	15.21
5	A₁	552	532	5.68
6	A₂	531	512	0.00
7	B₁	807	777	64.04
8	B₁	606	584	220.95
9	B₂	3842	3700	175.51
10	B₂	1481	1427	147.62
11	B₂	1173	1130	458.02
12	B₂	608	586	53.63

Atom	y (Å)	z (Å)
C1	0.000	0.100
O2	0.000	1.302
O3	1.085	-0.678
O4	-1.085	-0.678
H5	1.840	-0.079
H6	-1.840	-0.079

	C1	O2	O3	O4	H5	H6
C1		1.2021	1.3353	1.3353	1.8491	1.8491
O2	1.2021		2.2579	2.2579	2.3006	2.3006
O3	1.3353	2.2579		2.1707	0.9642	2.9866
O4	1.3353	2.2579	2.1707		2.9866	0.9642
H5	1.8491	2.3006	0.9642	2.9866		3.6809
H6	1.8491	2.3006	2.9866	0.9642	3.6809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	105.922	C1	O4	H6	105.922
O2	C1	O3	125.630	O2	C1	O4	125.630
O3	C1	O4	108.740

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

using model chemistry: B3PW91/6-311G**

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	0.455
2	O	-0.383
3	O	-0.306
4	O	-0.306
5	H	0.270
6	H	0.270

	x	y	z	Total
	0.000	0.000	-0.108	0.108
CHELPG
AIM
ESP

<r²>	59.971
(<r²>)^1/2	7.744

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

using model chemistry: B3PW91/6-311G**

States and conformations

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