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	hartrees
Energy at 0K	-588.396346
Energy at 298.15K	-588.399197
HF Energy	-588.396346
Nuclear repulsion energy	256.503531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1375	1309	652.48
2	A₁	1033	983	92.57
3	A₁	702	669	0.60
4	A₁	334	318	51.49
5	A₁	205	195	30.48
6	A₂	110	105	0.00
7	B₁	863	822	22.43
8	B₁	118	112	56.05
9	B₂	1622	1545	832.46
10	B₂	744	709	10.11
11	B₂	376	358	90.31
12	B₂	347	330	26.25

Atom	y (Å)	z (Å)
C1	0.000	-0.559
O2	0.000	0.786
O3	1.127	-1.156
O4	-1.127	-1.156
Na5	2.166	0.707
Na6	-2.166	0.707

	C1	O2	O3	O4	Na5	Na6
C1		1.3452	1.2750	1.2750	2.5090	2.5090
O2	1.3452		2.2453	2.2453	2.1672	2.1672
O3	1.2750	2.2453		2.2533	2.1337	3.7832
O4	1.2750	2.2453	2.2533		3.7832	2.1337
Na5	2.5090	2.1672	2.1337	3.7832		4.3315
Na6	2.5090	2.1672	3.7832	2.1337	4.3315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.923	C1	O2	Na6	87.923
C1	O3	Na5	91.227	C1	O4	Na6	91.227
O2	C1	O3	117.915	O2	C1	O4	117.915
O2	Na5	O3	62.935	O2	Na6	O4	62.935
O3	C1	O4	124.170	Na5	O2	Na6	175.846

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

using model chemistry: wB97X-D/6-31+G**

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	0.795
2	O	-0.990
3	O	-0.730
4	O	-0.730
5	Na	0.827
6	Na	0.827

	x	y	z	Total
	0.000	0.000	8.916	8.916
CHELPG
AIM
ESP

<r²>	179.546
(<r²>)^1/2	13.399

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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