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	hartrees
Energy at 0K	-265.111954
Energy at 298.15K	-265.115686
HF Energy	-265.111954
Nuclear repulsion energy	123.234836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3792	3661	13.63
2	A₁	1827	1764	551.15
3	A₁	1294	1249	27.31
4	A₁	976	942	19.60
5	A₁	550	531	6.50
6	A₂	521	503	0.00
7	B₁	791	764	59.42
8	B₁	600	579	239.87
9	B₂	3789	3658	185.38
10	B₂	1457	1406	130.72
11	B₂	1153	1113	468.35
12	B₂	605	584	46.77

Atom	y (Å)	z (Å)
C1	0.000	0.101
O2	0.000	1.305
O3	1.089	-0.679
O4	-1.089	-0.679
H5	1.857	-0.091
H6	-1.857	-0.091

	C1	O2	O3	O4	H5	H6
C1		1.2040	1.3400	1.3400	1.8666	1.8666
O2	1.2040		2.2640	2.2640	2.3231	2.3231
O3	1.3400	2.2640		2.1780	0.9673	3.0039
O4	1.3400	2.2640	2.1780		3.0039	0.9673
H5	1.8666	2.3231	0.9673	3.0039		3.7133
H6	1.8666	2.3231	3.0039	0.9673	3.7133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	106.878	C1	O4	H6	106.878
O2	C1	O3	125.643	O2	C1	O4	125.643
O3	C1	O4	108.714

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

using model chemistry: B3LYP/TZVP

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	0.313
2	O	-0.354
3	O	-0.282
4	O	-0.282
5	H	0.303
6	H	0.303

	x	y	z	Total
	0.000	0.000	-0.110	0.110
CHELPG
AIM
ESP

<r²>	60.700
(<r²>)^1/2	7.791

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

using model chemistry: B3LYP/TZVP

States and conformations

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