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	hartrees
Energy at 0K	-588.361968
Energy at 298.15K	-588.364932
HF Energy	-588.361968
Nuclear repulsion energy	260.385870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1376	1311	550.51
2	A₁	1033	984	104.49
3	A₁	722	688	1.35
4	A₁	364	347	45.51
5	A₁	219	209	18.78
6	A₂	117	111	0.00
7	B₁	879	837	20.72
8	B₁	101	96	50.11
9	B₂	1641	1563	810.56
10	B₂	752	717	11.20
11	B₂	398	379	13.77
12	B₂	381	362	103.42

Atom	y (Å)	z (Å)
C1	0.000	-0.549
O2	0.000	0.799
O3	1.120	-1.144
O4	-1.120	-1.144
Na5	2.135	0.691
Na6	-2.135	0.691

	C1	O2	O3	O4	Na5	Na6
C1		1.3479	1.2689	1.2689	2.4686	2.4686
O2	1.3479		2.2435	2.2435	2.1373	2.1373
O3	1.2689	2.2435		2.2406	2.0974	3.7369
O4	1.2689	2.2435	2.2406		3.7369	2.0974
Na5	2.4686	2.1373	2.0974	3.7369		4.2692
Na6	2.4686	2.1373	3.7369	2.0974	4.2692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.105	C1	O2	Na6	87.105
C1	O3	Na5	90.914	C1	O4	Na6	90.914
O2	C1	O3	118.006	O2	C1	O4	118.006
O2	Na5	O3	63.974	O2	Na6	O4	63.974
O3	C1	O4	123.988	Na5	O2	Na6	174.210

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

using model chemistry: M06-2X/6-31G(2df,p)

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	0.604
2	O	-0.611
3	O	-0.545
4	O	-0.545
5	Na	0.549
6	Na	0.549

	x	y	z	Total
	0.000	0.000	7.838	7.838
CHELPG
AIM
ESP

<r²>	173.619
(<r²>)^1/2	13.176

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

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

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