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	hartrees
Energy at 0K	-588.400725
Energy at 298.15K	-588.403397
HF Energy	-588.400725
Nuclear repulsion energy	254.129104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1242	1225	515.35
2	A₁	941	928	125.36
3	A₁	675	666	0.06
4	A₁	321	317	39.61
5	A₁	178	175	23.18
6	A₂	109	107	0.00
7	B₁	820	809	8.22
8	B₁	105	104	51.79
9	B₂	1497	1476	713.82
10	B₂	701	691	1.77
11	B₂	347	342	107.06
12	B₂	333	329	4.97

Atom	y (Å)	z (Å)
C1	0.000	-0.570
O2	0.000	0.796
O3	1.130	-1.175
O4	-1.130	-1.175
Na5	2.204	0.721
Na6	-2.204	0.721

	C1	O2	O3	O4	Na5	Na6
C1		1.3657	1.2824	1.2824	2.5542	2.5542
O2	1.3657		2.2723	2.2723	2.2056	2.2056
O3	1.2824	2.2723		2.2610	2.1787	3.8359
O4	1.2824	2.2723	2.2610		3.8359	2.1787
Na5	2.5542	2.2056	2.1787	3.8359		4.4086
Na6	2.5542	2.2056	3.8359	2.1787	4.4086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.661	C1	O2	Na6	87.661
C1	O3	Na5	90.819	C1	O4	Na6	90.819
O2	C1	O3	118.355	O2	C1	O4	118.355
O2	Na5	O3	63.166	O2	Na6	O4	63.166
O3	C1	O4	123.290	Na5	O2	Na6	175.321

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

using model chemistry: B97D3/cc-pVTZ

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	0.595
2	O	-0.599
3	O	-0.459
4	O	-0.459
5	Na	0.461
6	Na	0.461

	x	y	z	Total
	0.000	0.000	8.193	8.193
CHELPG
AIM
ESP

<r²>	182.763
(<r²>)^1/2	13.519

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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