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	hartrees
Energy at 0K	-588.382530
Energy at 298.15K	-588.385186
HF Energy	-588.382530
Nuclear repulsion energy	253.601179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1238	1220	529.52
2	A₁	933	920	138.90
3	A₁	671	661	0.15
4	A₁	316	311	41.99
5	A₁	176	173	26.39
6	A₂	113	112	0.00
7	B₁	810	798	12.53
8	B₁	110	108	58.62
9	B₂	1508	1486	709.86
10	B₂	703	693	1.26
11	B₂	347	342	103.91
12	B₂	324	319	3.84

Atom	y (Å)	z (Å)
C1	0.000	-0.581
O2	0.000	0.789
O3	1.134	-1.180
O4	-1.134	-1.180
Na5	2.206	0.729
Na6	-2.206	0.729

	C1	O2	O3	O4	Na5	Na6
C1		1.3707	1.2817	1.2817	2.5661	2.5661
O2	1.3707		2.2719	2.2719	2.2069	2.2069
O3	1.2817	2.2719		2.2670	2.1896	3.8467
O4	1.2817	2.2719	2.2670		3.8467	2.1896
Na5	2.5661	2.2069	2.1896	3.8467		4.4123
Na6	2.5661	2.2069	3.8467	2.1896	4.4123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.439	C1	O2	Na6	88.439
C1	O3	Na5	91.507	C1	O4	Na6	91.507
O2	C1	O3	117.825	O2	C1	O4	117.825
O2	Na5	O3	62.228	O2	Na6	O4	62.228
O3	C1	O4	124.350	Na5	O2	Na6	176.879

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

using model chemistry: B97D3/TZVP

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	0.415
2	O	-0.836
3	O	-0.605
4	O	-0.605
5	Na	0.815
6	Na	0.815

	x	y	z	Total
	0.000	0.000	8.684	8.684
CHELPG
AIM
ESP

<r²>	183.460
(<r²>)^1/2	13.545

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

using model chemistry: B97D3/TZVP

States and conformations

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