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	hartrees
Energy at 0K	-587.127390
Energy at 298.15K	-587.130356
HF Energy	-586.310401
Nuclear repulsion energy	256.417103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1394	1320	613.56
2	A₁	1041	986	83.19
3	A₁	728	689	2.92
4	A₁	373	353	54.33
5	A₁	206	195	23.46
6	A₂	111	106	0.00
7	B₁	897	850	21.75
8	B₁	112	106	50.26
9	B₂	1646	1559	785.95
10	B₂	760	720	23.28
11	B₂	395	374	142.36
12	B₂	373	354	10.69

Atom	y (Å)	z (Å)
C1	0.000	-0.561
O2	0.000	0.786
O3	1.120	-1.159
O4	-1.120	-1.159
Na5	2.194	0.710
Na6	-2.194	0.710

	C1	O2	O3	O4	Na5	Na6
C1		1.3474	1.2691	1.2691	2.5361	2.5361
O2	1.3474		2.2442	2.2442	2.1955	2.1955
O3	1.2691	2.2442		2.2393	2.1561	3.8047
O4	1.2691	2.2442	2.2393		3.8047	2.1561
Na5	2.5361	2.1955	2.1561	3.8047		4.3884
Na6	2.5361	2.1955	3.8047	2.1561	4.3884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.023	C1	O2	Na6	88.023
C1	O3	Na5	91.803	C1	O4	Na6	91.803
O2	C1	O3	118.090	O2	C1	O4	118.090
O2	Na5	O3	62.083	O2	Na6	O4	62.083
O3	C1	O4	123.819	Na5	O2	Na6	176.047

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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