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	hartrees
Energy at 0K	-587.107845
Energy at 298.15K	-587.110616
HF Energy	-586.343210
Nuclear repulsion energy	252.713278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1302	1253
2	A₁	968	932
3	A₁	686	661
4	A₁	343	330
5	A₁	191	184
6	A₂	104	100
7	B₁	842	810
8	B₁	103	99
9	B₂	1536	1479
10	B₂	714	688
11	B₂	367	353
12	B₂	347	334

Atom	y (Å)	z (Å)
C1	0.000	-0.571
O2	0.000	0.797
O3	1.139	-1.178
O4	-1.139	-1.178
Na5	2.220	0.723
Na6	-2.220	0.723

	C1	O2	O3	O4	Na5	Na6
C1		1.3685	1.2906	1.2906	2.5700	2.5700
O2	1.3685		2.2801	2.2801	2.2216	2.2216
O3	1.2906	2.2801		2.2783	2.1869	3.8600
O4	1.2906	2.2801	2.2783		3.8600	2.1869
Na5	2.5700	2.2216	2.1869	3.8600		4.4407
Na6	2.5700	2.2216	3.8600	2.1869	4.4407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.083	C1	O2	Na6	88.083
C1	O3	Na5	91.592	C1	O4	Na6	91.592
O2	C1	O3	118.039	O2	C1	O4	118.039
O2	Na5	O3	62.286	O2	Na6	O4	62.286
O3	C1	O4	123.922	Na5	O2	Na6	176.166

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

using model chemistry: CCSD(T)/aug-cc-pVDZ

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)/aug-cc-pVDZ

States and conformations

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