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	hartrees
Energy at 0K	-588.462976
Energy at 298.15K	-588.465857
HF Energy	-588.462976
Nuclear repulsion energy	257.261461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1363	1304	591.95
2	A₁	1025	980	96.72
3	A₁	711	680	0.66
4	A₁	342	327	46.97
5	A₁	206	197	26.16
6	A₂	111	106	0.00
7	B₁	869	832	26.21
8	B₁	107	103	55.47
9	B₂	1625	1555	801.01
10	B₂	751	718	8.21
11	B₂	381	364	80.39
12	B₂	357	342	38.73

Atom	y (Å)	z (Å)
C1	0.000	-0.558
O2	0.000	0.785
O3	1.121	-1.155
O4	-1.121	-1.155
Na5	2.163	0.707
Na6	-2.163	0.707

	C1	O2	O3	O4	Na5	Na6
C1		1.3430	1.2697	1.2697	2.5058	2.5058
O2	1.3430		2.2401	2.2401	2.1644	2.1644
O3	1.2697	2.2401		2.2417	2.1335	3.7748
O4	1.2697	2.2401	2.2417		3.7748	2.1335
Na5	2.5058	2.1644	2.1335	3.7748		4.3261
Na6	2.5058	2.1644	3.7748	2.1335	4.3261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.936	C1	O2	Na6	87.936
C1	O3	Na5	91.217	C1	O4	Na6	91.217
O2	C1	O3	118.024	O2	C1	O4	118.024
O2	Na5	O3	62.822	O2	Na6	O4	62.822
O3	C1	O4	123.951	Na5	O2	Na6	175.872

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

using model chemistry: wB97X-D/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	0.537
2	O	-0.707
3	O	-0.566
4	O	-0.566
5	Na	0.651
6	Na	0.651

	x	y	z	Total
	0.000	0.000	8.524	8.524
CHELPG
AIM
ESP

<r²>	178.235
(<r²>)^1/2	13.350

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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