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	hartrees
Energy at 0K	-587.276724
Energy at 298.15K	-587.279619
HF Energy	-586.412429
Nuclear repulsion energy	254.836098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1376	1295	648.05
2	A₁	1029	969	80.05
3	A₁	721	679	1.41
4	A₁	358	337	57.45
5	A₁	195	184	26.24
6	A₂	109	102	0.00
7	B₁	889	836	19.09
8	B₁	108	102	53.83
9	B₂	1612	1517	774.39
10	B₂	751	707	16.22
11	B₂	381	358	141.20
12	B₂	358	337	6.02

Atom	y (Å)	z (Å)
C1	0.000	-0.568
O2	0.000	0.779
O3	1.122	-1.168
O4	-1.122	-1.168
Na5	2.212	0.721
Na6	-2.212	0.721

	C1	O2	O3	O4	Na5	Na6
C1		1.3478	1.2724	1.2724	2.5607	2.5607
O2	1.3478		2.2475	2.2475	2.2132	2.2132
O3	1.2724	2.2475		2.2448	2.1806	3.8325
O4	1.2724	2.2475	2.2448		3.8325	2.1806
Na5	2.5607	2.2132	2.1806	3.8325		4.4249
Na6	2.5607	2.2132	3.8325	2.1806	4.4249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.483	C1	O2	Na6	88.483
C1	O3	Na5	91.888	C1	O4	Na6	91.888
O2	C1	O3	118.104	O2	C1	O4	118.104
O2	Na5	O3	61.525	O2	Na6	O4	61.525
O3	C1	O4	123.792	Na5	O2	Na6	176.966

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

using model chemistry: CCSD/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/cc-pVTZ

States and conformations

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