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	hartrees
Energy at 0K	-264.822269
Energy at 298.15K	-264.825964
HF Energy	-264.822269
Nuclear repulsion energy	121.509576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3729	3530	1.96
2	A₁	1777	1682	430.03
3	A₁	1274	1206	45.74
4	A₁	975	923	12.13
5	A₁	539	510	9.18
6	A₂	526	498	0.00
7	B₁	759	718	83.05
8	B₁	611	578	342.54
9	B₂	3726	3527	160.84
10	B₂	1516	1435	137.01
11	B₂	1115	1055	461.62
12	B₂	590	558	60.85

Atom	y (Å)	z (Å)
C1	0.000	0.100
O2	0.000	1.331
O3	1.100	-0.686
O4	-1.100	-0.686
H5	1.905	-0.136
H6	-1.905	-0.136

	C1	O2	O3	O4	H5	H6
C1		1.2302	1.3526	1.3526	1.9194	1.9194
O2	1.2302		2.2973	2.2973	2.4040	2.4040
O3	1.3526	2.2973		2.2009	0.9744	3.0551
O4	1.3526	2.2973	2.2009		3.0551	0.9744
H5	1.9194	2.4040	0.9744	3.0551		3.8096
H6	1.9194	2.4040	3.0551	0.9744	3.8096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	110.089	C1	O4	H6	110.089
O2	C1	O3	125.550	O2	C1	O4	125.550
O3	C1	O4	108.899

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

using model chemistry: mPW1PW91/6-31G

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	0.656
2	O	-0.420
3	O	-0.538
4	O	-0.538
5	H	0.420
6	H	0.420

	x	y	z	Total
	0.000	0.000	0.220	0.220
CHELPG
AIM
ESP

<r²>	61.984
(<r²>)^1/2	7.873

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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