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	hartrees
Energy at 0K	-264.918410
Energy at 298.15K	-264.922126
HF Energy	-264.918410
Nuclear repulsion energy	123.524338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3875	3690	20.76
2	A₁	1891	1800	629.64
3	A₁	1293	1231	42.45
4	A₁	1023	974	14.80
5	A₁	557	530	7.45
6	A₂	498	474	0.00
7	B₁	811	773	63.18
8	B₁	569	542	256.92
9	B₂	3872	3687	239.18
10	B₂	1505	1433	232.33
11	B₂	1186	1129	398.92
12	B₂	614	585	56.90

Atom	y (Å)	z (Å)
C1	0.000	0.097
O2	0.000	1.303
O3	1.086	-0.677
O4	-1.086	-0.677
H5	1.854	-0.088
H6	-1.854	-0.088

	C1	O2	O3	O4	H5	H6
C1		1.2061	1.3335	1.3335	1.8629	1.8629
O2	1.2061		2.2581	2.2581	2.3176	2.3176
O3	1.3335	2.2581		2.1725	0.9672	2.9983
O4	1.3335	2.2581	2.1725		2.9983	0.9672
H5	1.8629	2.3176	0.9672	2.9983		3.7074
H6	1.8629	2.3176	2.9983	0.9672	3.7074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	107.061	C1	O4	H6	107.061
O2	C1	O3	125.454	O2	C1	O4	125.454
O3	C1	O4	109.091

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

using model chemistry: M06-2X/6-31+G**

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	0.659
2	O	-0.485
3	O	-0.481
4	O	-0.481
5	H	0.394
6	H	0.394

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

<r²>	60.461
(<r²>)^1/2	7.776

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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