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	hartrees
Energy at 0K	-588.131066
Energy at 298.15K	-588.133990
HF Energy	-588.131066
Nuclear repulsion energy	258.348326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1347	1293	560.93
2	A₁	1014	974	102.50
3	A₁	712	684	0.97
4	A₁	354	340	44.21
5	A₁	207	199	22.52
6	A₂	116	111	0.00
7	B₁	863	829	22.27
8	B₁	111	106	53.72
9	B₂	1614	1550	763.85
10	B₂	748	718	6.27
11	B₂	382	367	90.47
12	B₂	375	360	23.28

Atom	y (Å)	z (Å)
C1	0.000	-0.565
O2	0.000	0.786
O3	1.122	-1.159
O4	-1.122	-1.159
Na5	2.154	0.711
Na6	-2.154	0.711

	C1	O2	O3	O4	Na5	Na6
C1		1.3502	1.2697	1.2697	2.5037	2.5037
O2	1.3502		2.2448	2.2448	2.1556	2.1556
O3	1.2697	2.2448		2.2445	2.1356	3.7725
O4	1.2697	2.2448	2.2445		3.7725	2.1356
Na5	2.5037	2.1556	2.1356	3.7725		4.3087
Na6	2.5037	2.1556	3.7725	2.1356	4.3087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.018	C1	O2	Na6	88.018
C1	O3	Na5	91.009	C1	O4	Na6	91.009
O2	C1	O3	117.890	O2	C1	O4	117.890
O2	Na5	O3	63.082	O2	Na6	O4	63.082
O3	C1	O4	124.220	Na5	O2	Na6	176.037

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

using model chemistry: HSEh1PBE/6-311G**

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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Number	Element	Mulliken
1	C	0.548
2	O	-0.701
3	O	-0.558
4	O	-0.558
5	Na	0.634
6	Na	0.634

	x	y	z	Total
	0.000	0.000	8.228	8.228
CHELPG
AIM
ESP

<r²>	176.614
(<r²>)^1/2	13.290

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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