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	hartrees
Energy at 0K	-588.260934
Energy at 298.15K	-588.263614
HF Energy	-588.260934
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1267	1242	474.46
2	A₁	947	928	103.07
3	A₁	672	659	0.56
4	A₁	331	325	35.14
5	A₁	191	187	19.60
6	A₂	110	108	0.00
7	B₁	805	790	12.21
8	B₁	97	95	50.31
9	B₂	1535	1505	695.91
10	B₂	704	690	1.58
11	B₂	357	350	103.38
12	B₂	350	343	6.75

Atom	y (Å)	z (Å)
C1	0.000	-0.568
O2	0.000	0.803
O3	1.135	-1.175
O4	-1.135	-1.175
Na5	2.177	0.718
Na6	-2.177	0.718

	C1	O2	O3	O4	Na5	Na6
C1		1.3707	1.2878	1.2878	2.5283	2.5283
O2	1.3707		2.2810	2.2810	2.1790	2.1790
O3	1.2878	2.2810		2.2708	2.1606	3.8153
O4	1.2878	2.2810	2.2708		3.8153	2.1606
Na5	2.5283	2.1790	2.1606	3.8153		4.3546
Na6	2.5283	2.1790	3.8153	2.1606	4.3546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.496	C1	O2	Na6	87.496
C1	O3	Na5	90.522	C1	O4	Na6	90.522
O2	C1	O3	118.334	O2	C1	O4	118.334
O2	Na5	O3	63.648	O2	Na6	O4	63.648
O3	C1	O4	123.331	Na5	O2	Na6	174.992

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

using model chemistry: B97D3/6-31G*

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	0.803
2	O	-0.694
3	O	-0.618
4	O	-0.618
5	Na	0.564
6	Na	0.564

	x	y	z	Total
	0.000	0.000	7.887	7.887
CHELPG
AIM
ESP

<r²>	180.512
(<r²>)^1/2	13.435

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

using model chemistry: B97D3/6-31G*

States and conformations

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