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	hartrees
Energy at 0K	-264.364090
Energy at 298.15K	-264.367866
HF Energy	-263.675287
Nuclear repulsion energy	122.902861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3830	3640	20.11
2	A₁	1894	1800	444.64
3	A₁	1315	1250	26.84
4	A₁	993	944	18.02
5	A₁	552	524	4.03
6	A₂	545	518	0.00
7	B₁	806	766	56.79
8	B₁	618	587	209.00
9	B₂	3829	3639	179.86
10	B₂	1501	1427	158.26
11	B₂	1194	1135	434.94
12	B₂	606	576	50.18

Atom	y (Å)	z (Å)
C1	0.000	0.102
O2	0.000	1.314
O3	1.088	-0.687
O4	-1.088	-0.687
H5	1.835	-0.068
H6	-1.835	-0.068

	C1	O2	O3	O4	H5	H6
C1		1.2117	1.3440	1.3440	1.8429	1.8429
O2	1.2117		2.2775	2.2775	2.2970	2.2970
O3	1.3440	2.2775		2.1759	0.9704	2.9878
O4	1.3440	2.2775	2.1759		2.9878	0.9704
H5	1.8429	2.2970	0.9704	2.9878		3.6700
H6	1.8429	2.2970	2.9878	0.9704	3.6700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	104.389	C1	O4	H6	104.389
O2	C1	O3	125.956	O2	C1	O4	125.956
O3	C1	O4	108.087

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

using model chemistry: MP2=FULL/cc-pVDZ

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

using model chemistry: MP2=FULL/cc-pVDZ

States and conformations

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