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	hartrees
Energy at 0K	-587.316591
Energy at 298.15K	-587.319430
HF Energy	-586.410771
Nuclear repulsion energy	253.847950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1331	1263
2	A₁	992	941
3	A₁	705	668
4	A₁	353	335
5	A₁	194	184
6	A₂	106	101
7	B₁	861	816
8	B₁	105	100
9	B₂	1575	1494
10	B₂	733	696
11	B₂	376	357
12	B₂	355	337

Atom	y (Å)	z (Å)
C1	0.000	-0.570
O2	0.000	0.787
O3	1.128	-1.173
O4	-1.128	-1.173
Na5	2.217	0.722
Na6	-2.217	0.722

	C1	O2	O3	O4	Na5	Na6
C1		1.3571	1.2789	1.2789	2.5665	2.5665
O2	1.3571		2.2616	2.2616	2.2183	2.2183
O3	1.2789	2.2616		2.2553	2.1865	3.8448
O4	1.2789	2.2616	2.2553		3.8448	2.1865
Na5	2.5665	2.2183	2.1865	3.8448		4.4347
Na6	2.5665	2.2183	3.8448	2.1865	4.4347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.326	C1	O2	Na6	88.326
C1	O3	Na5	91.746	C1	O4	Na6	91.746
O2	C1	O3	118.146	O2	C1	O4	118.146
O2	Na5	O3	61.782	O2	Na6	O4	61.782
O3	C1	O4	123.707	Na5	O2	Na6	176.652

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

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

States and conformations

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