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	hartrees
Energy at 0K	-587.340928
Energy at 298.15K	-587.343725
HF Energy	-586.414683
Nuclear repulsion energy	253.496408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1323	1279
2	A₁	989	956
3	A₁	699	676
4	A₁	347	336
5	A₁	189	183
6	A₂	101	98
7	B₁	856	827
8	B₁	105	101
9	B₂	1557	1505
10	B₂	726	702
11	B₂	371	359
12	B₂	348	337

Atom	y (Å)	z (Å)
C1	0.000	-0.571
O2	0.000	0.786
O3	1.129	-1.174
O4	-1.129	-1.174
Na5	2.223	0.723
Na6	-2.223	0.723

	C1	O2	O3	O4	Na5	Na6
C1		1.3567	1.2799	1.2799	2.5722	2.5722
O2	1.3567		2.2615	2.2615	2.2237	2.2237
O3	1.2799	2.2615		2.2582	2.1898	3.8516
O4	1.2799	2.2615	2.2582		3.8516	2.1898
Na5	2.5722	2.2237	2.1898	3.8516		4.4457
Na6	2.5722	2.2237	3.8516	2.1898	4.4457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.393	C1	O2	Na6	88.393
C1	O3	Na5	91.869	C1	O4	Na6	91.869
O2	C1	O3	118.097	O2	C1	O4	118.097
O2	Na5	O3	61.642	O2	Na6	O4	61.642
O3	C1	O4	123.807	Na5	O2	Na6	176.785

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

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVTZ

States and conformations

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