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	hartrees
Energy at 0K	-264.461388
Energy at 298.15K	-264.465161
HF Energy	-263.728283
Nuclear repulsion energy	123.575564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3901	3722	15.48
2	A₁	1895	1808	498.32
3	A₁	1348	1286	19.47
4	A₁	1001	955	17.95
5	A₁	560	534	4.14
6	A₂	524	500	0.00
7	B₁	813	776	66.70
8	B₁	603	575	219.69
9	B₂	3897	3718	162.84
10	B₂	1515	1446	130.30
11	B₂	1217	1161	466.49
12	B₂	617	588	54.29

Atom	y (Å)	z (Å)
C1	0.000	0.101
O2	0.000	1.303
O3	1.086	-0.680
O4	-1.086	-0.680
H5	1.834	-0.075
H6	-1.834	-0.075

	C1	O2	O3	O4	H5	H6
C1		1.2022	1.3378	1.3378	1.8422	1.8422
O2	1.2022		2.2610	2.2610	2.2938	2.2938
O3	1.3378	2.2610		2.1727	0.9615	2.9821
O4	1.3378	2.2610	2.1727		2.9821	0.9615
H5	1.8422	2.2938	0.9615	2.9821		3.6675
H6	1.8422	2.2938	2.9821	0.9615	3.6675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	105.311	C1	O4	H6	105.311
O2	C1	O3	125.704	O2	C1	O4	125.704
O3	C1	O4	108.592

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

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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