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	hartrees
Energy at 0K	-587.298354
Energy at 298.15K	-587.301218
HF Energy	-586.416517
Nuclear repulsion energy	254.599019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1372	1311	662.89
2	A₁	1029	984	75.71
3	A₁	717	686	1.85
4	A₁	354	338	64.38
5	A₁	191	183	27.82
6	A₂	105	100	0.00
7	B₁	885	846	18.56
8	B₁	107	102	53.56
9	B₂	1597	1526	773.42
10	B₂	745	712	18.52
11	B₂	378	361	138.08
12	B₂	353	338	9.29

Atom	y (Å)	z (Å)
C1	0.000	-0.568
O2	0.000	0.779
O3	1.123	-1.167
O4	-1.123	-1.167
Na5	2.217	0.721
Na6	-2.217	0.721

	C1	O2	O3	O4	Na5	Na6
C1		1.3465	1.2732	1.2732	2.5646	2.5646
O2	1.3465		2.2469	2.2469	2.2183	2.2183
O3	1.2732	2.2469		2.2465	2.1821	3.8373
O4	1.2732	2.2469	2.2465		3.8373	2.1821
Na5	2.5646	2.2183	2.1821	3.8373		4.4350
Na6	2.5646	2.2183	3.8373	2.1821	4.4350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.498	C1	O2	Na6	88.498
C1	O3	Na5	92.009	C1	O4	Na6	92.009
O2	C1	O3	118.089	O2	C1	O4	118.089
O2	Na5	O3	61.404	O2	Na6	O4	61.404
O3	C1	O4	123.822	Na5	O2	Na6	176.996

All results from a given calculation for Na₂CO₃ (Sodium Carbonate)

using model chemistry: CCSD/aug-cc-pVTZ

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 Na2CO3 (Sodium Carbonate)

using model chemistry: CCSD/aug-cc-pVTZ

States and conformations

All results from a given calculation for Na₂CO₃ (Sodium Carbonate)