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	hartrees
Energy at 0K	-588.494420
Energy at 298.15K	-588.497266
HF Energy	-588.494420
Nuclear repulsion energy	256.134398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1355	1294	648.63
2	A₁	1021	975	111.90
3	A₁	710	678	0.11
4	A₁	334	319	51.63
5	A₁	195	186	29.62
6	A₂	112	107	0.00
7	B₁	863	824	26.23
8	B₁	117	111	61.52
9	B₂	1616	1543	834.53
10	B₂	747	713	7.62
11	B₂	369	352	94.82
12	B₂	347	332	20.20

Atom	y (Å)	z (Å)
C1	0.000	-0.562
O2	0.000	0.781
O3	1.122	-1.154
O4	-1.122	-1.154
Na5	2.170	0.709
Na6	-2.170	0.709

	C1	O2	O3	O4	Na5	Na6
C1		1.3426	1.2689	1.2689	2.5143	2.5143
O2	1.3426		2.2368	2.2368	2.1709	2.1709
O3	1.2689	2.2368		2.2445	2.1371	3.7824
O4	1.2689	2.2368	2.2445		3.7824	2.1371
Na5	2.5143	2.1709	2.1371	3.7824		4.3394
Na6	2.5143	2.1709	3.7824	2.1371	4.3394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.097	C1	O2	Na6	88.097
C1	O3	Na5	91.526	C1	O4	Na6	91.526
O2	C1	O3	117.823	O2	C1	O4	117.823
O2	Na5	O3	62.554	O2	Na6	O4	62.554
O3	C1	O4	124.354	Na5	O2	Na6	176.195

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

using model chemistry: wB97X-D/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	0.466
2	O	-0.890
3	O	-0.658
4	O	-0.658
5	Na	0.870
6	Na	0.870

	x	y	z	Total
	0.000	0.000	9.091	9.091
CHELPG
AIM
ESP

<r²>	180.238
(<r²>)^1/2	13.425

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

using model chemistry: wB97X-D/TZVP

States and conformations

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