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	hartrees
Energy at 0K	-588.015169
Energy at 298.15K	-588.018076
HF Energy	-588.015169
Nuclear repulsion energy	257.771085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1363	1302	613.26
2	A₁	1025	980	95.06
3	A₁	705	673	0.96
4	A₁	349	334	50.88
5	A₁	208	199	25.38
6	A₂	114	109	0.00
7	B₁	859	821	19.13
8	B₁	122	116	54.65
9	B₂	1615	1543	790.98
10	B₂	743	710	8.85
11	B₂	377	360	108.56
12	B₂	368	352	4.97

Atom	y (Å)	z (Å)
C1	0.000	-0.563
O2	0.000	0.787
O3	1.127	-1.159
O4	-1.127	-1.159
Na5	2.160	0.710
Na6	-2.160	0.710

	C1	O2	O3	O4	Na5	Na6
C1		1.3500	1.2754	1.2754	2.5076	2.5076
O2	1.3500		2.2493	2.2493	2.1619	2.1619
O3	1.2754	2.2493		2.2550	2.1355	3.7821
O4	1.2754	2.2493	2.2550		3.7821	2.1355
Na5	2.5076	2.1619	2.1355	3.7821		4.3210
Na6	2.5076	2.1619	3.7821	2.1355	4.3210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.953	C1	O2	Na6	87.953
C1	O3	Na5	91.058	C1	O4	Na6	91.058
O2	C1	O3	117.871	O2	C1	O4	117.871
O2	Na5	O3	63.118	O2	Na6	O4	63.118
O3	C1	O4	124.259	Na5	O2	Na6	175.906

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

using model chemistry: PBE1PBE/6-31+G**

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	0.737
2	O	-0.978
3	O	-0.703
4	O	-0.703
5	Na	0.824
6	Na	0.824

	x	y	z	Total
	0.000	0.000	8.641	8.641
CHELPG
AIM
ESP

<r²>	177.579
(<r²>)^1/2	13.326

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

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