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	hartrees
Energy at 0K	-264.928323
Energy at 298.15K	-264.932082
HF Energy	-264.928323
Nuclear repulsion energy	123.515247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3814	3617	18.95
2	A₁	1906	1807	496.00
3	A₁	1322	1253	38.04
4	A₁	1012	960	10.97
5	A₁	550	522	6.81
6	A₂	545	516	0.00
7	B₁	805	764	75.96
8	B₁	622	590	228.65
9	B₂	3811	3614	166.52
10	B₂	1523	1445	158.51
11	B₂	1195	1133	430.77
12	B₂	607	575	57.62

Atom	y (Å)	z (Å)
C1	0.000	0.097
O2	0.000	1.304
O3	1.085	-0.679
O4	-1.085	-0.679
H5	1.841	-0.075
H6	-1.841	-0.075

	C1	O2	O3	O4	H5	H6
C1		1.2068	1.3345	1.3345	1.8494	1.8494
O2	1.2068		2.2609	2.2609	2.3003	2.3003
O3	1.3345	2.2609		2.1705	0.9683	2.9885
O4	1.3345	2.2609	2.1705		2.9885	0.9683
H5	1.8494	2.3003	0.9683	2.9885		3.6829
H6	1.8494	2.3003	2.9885	0.9683	3.6829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	105.765	C1	O4	H6	105.765
O2	C1	O3	125.586	O2	C1	O4	125.586
O3	C1	O4	108.828

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	0.724
2	O	-0.485
3	O	-0.563
4	O	-0.563
5	H	0.443
6	H	0.443

	x	y	z	Total
	0.000	0.000	-0.072	0.072
CHELPG
AIM
ESP

<r²>	59.886
(<r²>)^1/2	7.739

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)