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	hartrees
Energy at 0K	-264.312591
Energy at 298.15K	-264.316348
HF Energy	-263.642427
Nuclear repulsion energy	122.661683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3750	3533	15.50
2	A₁	1891	1782	449.51
3	A₁	1322	1245	40.43
4	A₁	996	938	15.83
5	A₁	550	518	5.83
6	A₂	551	519	0.00
7	B₁	794	748	73.71
8	B₁	631	595	243.92
9	B₂	3748	3531	186.25
10	B₂	1515	1428	143.40
11	B₂	1193	1124	452.94
12	B₂	602	567	55.01

Atom	y (Å)	z (Å)
C1	0.000	0.102
O2	0.000	1.317
O3	1.088	-0.687
O4	-1.088	-0.687
H5	1.851	-0.078
H6	-1.851	-0.078

	C1	O2	O3	O4	H5	H6
C1		1.2153	1.3441	1.3441	1.8597	1.8597
O2	1.2153		2.2805	2.2805	2.3178	2.3178
O3	1.3441	2.2805		2.1768	0.9760	3.0018
O4	1.3441	2.2805	2.1768		3.0018	0.9760
H5	1.8597	2.3178	0.9760	3.0018		3.7020
H6	1.8597	2.3178	3.0018	0.9760	3.7020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	105.462	C1	O4	H6	105.462
O2	C1	O3	125.929	O2	C1	O4	125.929
O3	C1	O4	108.142

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

using model chemistry: MP2=FULL/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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All results from a given calculation for H2CO3 (Carbonic acid)

using model chemistry: MP2=FULL/6-31G*

States and conformations

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