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	hartrees
Energy at 0K	-587.892713
Energy at 298.15K	-587.895394
HF Energy	-587.892713
Nuclear repulsion energy	253.136106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1183	1167	412.34
2	A₁	881	869	111.47
3	A₁	640	631	0.14
4	A₁	337	332	31.87
5	A₁	200	197	19.02
6	A₂	111	109	0.00
7	B₁	741	731	13.10
8	B₁	112	111	56.53
9	B₂	1491	1470	581.25
10	B₂	681	672	3.00
11	B₂	372	367	85.00
12	B₂	347	342	16.95

Atom	y (Å)	z (Å)
C1	0.000	-0.590
O2	0.000	0.819
O3	1.163	-1.192
O4	-1.163	-1.192
Na5	2.164	0.730
Na6	-2.164	0.730

	C1	O2	O3	O4	Na5	Na6
C1		1.4084	1.3098	1.3098	2.5343	2.5343
O2	1.4084		2.3228	2.3228	2.1654	2.1654
O3	1.3098	2.3228		2.3263	2.1666	3.8420
O4	1.3098	2.3228	2.3263		3.8420	2.1666
Na5	2.5343	2.1654	2.1666	3.8420		4.3272
Na6	2.5343	2.1654	3.8420	2.1666	4.3272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.650	C1	O2	Na6	87.650
C1	O3	Na5	90.128	C1	O4	Na6	90.128
O2	C1	O3	117.373	O2	C1	O4	117.373
O2	Na5	O3	64.850	O2	Na6	O4	64.850
O3	C1	O4	125.254	Na5	O2	Na6	175.299

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

using model chemistry: PBEPBE/6-31G

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	0.546
2	O	-0.707
3	O	-0.569
4	O	-0.569
5	Na	0.650
6	Na	0.650

	x	y	z	Total
	0.000	0.000	8.075	8.075
CHELPG
AIM
ESP

<r²>	182.348
(<r²>)^1/2	13.504

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

using model chemistry: PBEPBE/6-31G

States and conformations

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