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	hartrees
Energy at 0K	-587.400669
Energy at 298.15K	-587.403529
HF Energy	-586.412685
Nuclear repulsion energy	256.097586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1338	1281
2	A₁	1000	958
3	A₁	712	682
4	A₁	347	332
5	A₁	196	188
6	A₂	110	105
7	B₁	875	838
8	B₁	111	106
9	B₂	1587	1520
10	B₂	735	705
11	B₂	371	355
12	B₂	358	343

Atom	y (Å)	z (Å)
C1	0.000	-0.567
O2	0.000	0.784
O3	1.123	-1.167
O4	-1.123	-1.167
Na5	2.187	0.718
Na6	-2.187	0.718

	C1	O2	O3	O4	Na5	Na6
C1		1.3511	1.2730	1.2730	2.5364	2.5364
O2	1.3511		2.2509	2.2509	2.1878	2.1878
O3	1.2730	2.2509		2.2458	2.1643	3.8087
O4	1.2730	2.2509	2.2458		3.8087	2.1643
Na5	2.5364	2.1878	2.1643	3.8087		4.3736
Na6	2.5364	2.1878	3.8087	2.1643	4.3736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.271	C1	O2	Na6	88.271
C1	O3	Na5	91.338	C1	O4	Na6	91.338
O2	C1	O3	118.105	O2	C1	O4	118.105
O2	Na5	O3	62.286	O2	Na6	O4	62.286
O3	C1	O4	123.790	Na5	O2	Na6	176.542

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

using model chemistry: CCSD(T)=FULL/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(T)=FULL/cc-pVTZ

States and conformations

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