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	hartrees
Energy at 0K	-588.384376
Energy at 298.15K	-588.387040
HF Energy	-588.384376
Nuclear repulsion energy	254.802021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1247	1231	518.26
2	A₁	948	936	120.04
3	A₁	678	669	0.02
4	A₁	321	317	46.30
5	A₁	179	176	24.60
6	A₂	107	105	0.00
7	B₁	824	813	8.93
8	B₁	103	101	50.86
9	B₂	1497	1477	709.62
10	B₂	702	693	2.82
11	B₂	347	343	101.72
12	B₂	332	328	10.12

Atom	y (Å)	z (Å)
C1	0.000	-0.566
O2	0.000	0.796
O3	1.130	-1.170
O4	-1.130	-1.170
Na5	2.199	0.716
Na6	-2.199	0.716

	C1	O2	O3	O4	Na5	Na6
C1		1.3622	1.2808	1.2808	2.5457	2.5457
O2	1.3622		2.2671	2.2671	2.2007	2.2007
O3	1.2808	2.2671		2.2597	2.1676	3.8259
O4	1.2808	2.2671	2.2597		3.8259	2.1676
Na5	2.5457	2.2007	2.1676	3.8259		4.3984
Na6	2.5457	2.2007	3.8259	2.1676	4.3984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.673	C1	O2	Na6	87.673
C1	O3	Na5	90.941	C1	O4	Na6	90.941
O2	C1	O3	118.247	O2	C1	O4	118.247
O2	Na5	O3	63.138	O2	Na6	O4	63.138
O3	C1	O4	123.506	Na5	O2	Na6	175.346

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	1.262
2	O	-0.885
3	O	-0.825
4	O	-0.825
5	Na	0.636
6	Na	0.636

	x	y	z	Total
	0.000	0.000	8.288	8.288
CHELPG
AIM
ESP

<r²>	182.071
(<r²>)^1/2	13.493

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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