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	hartrees
Energy at 0K	-262.621552
Energy at 298.15K	-262.625200
HF Energy	-262.160526
Nuclear repulsion energy	120.055536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3559	3398	0.31
2	A₁	1775	1695	277.20
3	A₁	1301	1242	46.95
4	A₁	920	879	17.53
5	A₁	530	506	5.97
6	A₂	502	480	0.00
7	B₁	746	712	67.95
8	B₁	595	568	303.71
9	B₂	3558	3397	90.37
10	B₂	1513	1445	76.36
11	B₂	1076	1027	501.97
12	B₂	589	563	55.43

Atom	y (Å)	z (Å)
C1	0.000	0.114
O2	0.000	1.347
O3	1.110	-0.702
O4	-1.110	-0.702
H5	1.911	-0.117
H6	-1.911	-0.117

	C1	O2	O3	O4	H5	H6
C1		1.2326	1.3776	1.3776	1.9252	1.9252
O2	1.2326		2.3300	2.3300	2.4076	2.4076
O3	1.3776	2.3300		2.2196	0.9920	3.0770
O4	1.3776	2.3300	2.2196		3.0770	0.9920
H5	1.9252	2.4076	0.9920	3.0770		3.8225
H6	1.9252	2.4076	3.0770	0.9920	3.8225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	107.566	C1	O4	H6	107.566
O2	C1	O3	126.331	O2	C1	O4	126.331
O3	C1	O4	107.339

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

using model chemistry: MP2=FULL/3-21G

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: MP2=FULL/3-21G

States and conformations

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