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	hartrees
Energy at 0K	-264.424546
Energy at 298.15K	-264.428370
HF Energy	-263.715003
Nuclear repulsion energy	123.901029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3878	3704	6.79
2	A₁	1932	1845	559.88
3	A₁	1366	1305	30.29
4	A₁	1016	970	17.50
5	A₁	566	541	5.62
6	A₂	554	529	0.00
7	B₁	834	796	84.81
8	B₁	634	605	258.08
9	B₂	3876	3702	132.54
10	B₂	1532	1463	138.41
11	B₂	1237	1182	491.41
12	B₂	626	598	59.58

Atom	y (Å)	z (Å)
C1	0.000	0.100
O2	0.000	1.298
O3	1.084	-0.676
O4	-1.084	-0.676
H5	1.844	-0.088
H6	-1.844	-0.088

	C1	O2	O3	O4	H5	H6
C1		1.1984	1.3327	1.3327	1.8537	1.8537
O2	1.1984		2.2519	2.2519	2.3073	2.3073
O3	1.3327	2.2519		2.1677	0.9608	2.9863
O4	1.3327	2.2519	2.1677		2.9863	0.9608
H5	1.8537	2.3073	0.9608	2.9863		3.6883
H6	1.8537	2.3073	2.9863	0.9608	3.6883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	106.726	C1	O4	H6	106.726
O2	C1	O3	125.585	O2	C1	O4	125.585
O3	C1	O4	108.830

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

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

States and conformations

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