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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	¹A₁
1	2	no

	hartrees
Energy at 0K	-264.920217
Energy at 298.15K	-264.915548
HF Energy	-265.025337
Nuclear repulsion energy	123.310052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3807	3674	13.19
2	A₁	1862	1797	443.42
3	A₁	1301	1256	35.50
4	A₁	985	951	11.52
5	A₁	546	527	6.90
6	A₂	533	515	0.00
7	B₁	803	775	56.28
8	B₁	608	586	195.16
9	B₂	3804	3671	153.03
10	B₂	1481	1429	114.14
11	B₂	1160	1119	420.15
12	B₂	598	578	49.16

Atom	y (Å)	z (Å)
C1	0.000	0.103
O2	0.000	1.306
O3	1.087	-0.681
O4	-1.087	-0.681
H5	1.846	-0.083
H6	-1.846	-0.083

	C1	O2	O3	O4	H5	H6
C1		1.2034	1.3403	1.3403	1.8552	1.8552
O2	1.2034		2.2654	2.2654	2.3105	2.3105
O3	1.3403	2.2654		2.1738	0.9661	2.9930
O4	1.3403	2.2654	2.1738		2.9930	0.9661
H5	1.8552	2.3105	0.9661	2.9930		3.6916
H6	1.8552	2.3105	2.9930	0.9661	3.6916

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

using model chemistry: G4

States and conformations

Conformer 1 (C2V)

Conformer 2 ()

	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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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	106.563	C1	O4	H6	106.563
O2	C1	O3	125.870	O2	C1	O4	125.870
O3	C1	O4	108.260

	hartrees
Energy at 0K	-264.917821
Energy at 298.15K	-264.913100
HF Energy	-265.022517
Nuclear repulsion energy	123.171537

Number	Element	Mulliken
1	C	0.481
2	O	-0.398
3	O	-0.360
4	O	-0.360
5	H	0.319
6	H	0.319

	x	y	z	Total
	0.000	0.000	-0.213	0.213
CHELPG
AIM
ESP

<r²>	60.016
(<r²>)^1/2	7.747

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

using model chemistry: G4

States and conformations

Conformer 1 (C2V)

Conformer 2 ()

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