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	hartrees
Energy at 0K	-260.279494
Energy at 298.15K	-260.282750
HF Energy	-260.071546
Nuclear repulsion energy	117.587271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3884	3452	32.83
2	A₁	1941	1725	69.63
3	A₁	1484	1319	4.43
4	A₁	961	854	5.85
5	A₁	461	410	0.84
6	A₂	496	441	0.00
7	B₁	630	560	19.31
8	B₁	556	494	136.90
9	B₂	3878	3447	2.45
10	B₂	1621	1441	44.06
11	B₂	1236	1099	289.59
12	B₂	514	457	32.18

Atom	y (Å)	z (Å)
C1	0.000	0.121
O2	0.000	1.374
O3	1.134	-0.727
O4	-1.134	-0.727
H5	1.889	-0.046
H6	-1.889	-0.046

	C1	O2	O3	O4	H5	H6
C1		1.2535	1.4155	1.4155	1.8967	1.8967
O2	1.2535		2.3872	2.3872	2.3633	2.3633
O3	1.4155	2.3872		2.2680	1.0171	3.0991
O4	1.4155	2.3872	2.2680		3.0991	1.0171
H5	1.8967	2.3633	1.0171	3.0991		3.7788
H6	1.8967	2.3633	3.0991	1.0171	3.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H5	101.203	C1	O4	H6	101.203
O2	C1	O3	126.763	O2	C1	O4	126.763
O3	C1	O4	106.474

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

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

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/STO-3G

States and conformations

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