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	hartrees
Energy at 0K	-263.767967
Energy at 298.15K	-263.771890
HF Energy	-263.767967
Nuclear repulsion energy	125.661360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	4128	3758	27.43
2	A₁	1985	1807	722.94
3	A₁	1404	1278	37.70
4	A₁	1081	984	13.10
5	A₁	602	548	8.60
6	A₂	571	519	0.00
7	B₁	909	827	89.37
8	B₁	624	568	234.33
9	B₂	4125	3756	264.60
10	B₂	1604	1460	213.59
11	B₂	1293	1178	430.61
12	B₂	666	606	62.35

Atom	y (Å)	z (Å)
C1	0.000	0.094
O2	0.000	1.277
O3	1.073	-0.661
O4	-1.073	-0.661
H5	1.833	-0.101
H6	-1.833	-0.101

	C1	O2	O3	O4	H5	H6
C1		1.1829	1.3121	1.3121	1.8429	1.8429
O2	1.1829		2.2154	2.2154	2.2927	2.2927
O3	1.3121	2.2154		2.1457	0.9442	2.9589
O4	1.3121	2.2154	2.1457		2.9589	0.9442
H5	1.8429	2.2927	0.9442	2.9589		3.6651
H6	1.8429	2.2927	2.9589	0.9442	3.6651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	108.425	C1	O4	H6	108.425
O2	C1	O3	125.151	O2	C1	O4	125.151
O3	C1	O4	109.699

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

using model chemistry: HF/aug-cc-pVTZ

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	0.589
2	O	-0.545
3	O	-0.261
4	O	-0.261
5	H	0.239
6	H	0.239

	x	y	z	Total
	0.000	0.000	-0.439	0.439
CHELPG
AIM
ESP

<r²>	58.797
(<r²>)^1/2	7.668

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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