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	hartrees
Energy at 0K	-588.530918
Energy at 298.15K	-588.533833
HF Energy	-588.530918
Nuclear repulsion energy	258.530737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1305	1259	498.32
2	A₁	985	950	113.52
3	A₁	703	678	0.43
4	A₁	357	345	38.95
5	A₁	212	205	19.26
6	A₂	115	111	0.00
7	B₁	849	819	15.11
8	B₁	115	111	48.72
9	B₂	1573	1518	744.02
10	B₂	736	710	7.33
11	B₂	385	371	42.92
12	B₂	376	363	71.80

Atom	y (Å)	z (Å)
C1	0.000	-0.555
O2	0.000	0.803
O3	1.125	-1.152
O4	-1.125	-1.152
Na5	2.153	0.698
Na6	-2.153	0.698

	C1	O2	O3	O4	Na5	Na6
C1		1.3577	1.2742	1.2742	2.4906	2.4906
O2	1.3577		2.2561	2.2561	2.1554	2.1554
O3	1.2742	2.2561		2.2506	2.1162	3.7641
O4	1.2742	2.2561	2.2506		3.7641	2.1162
Na5	2.4906	2.1554	2.1162	3.7641		4.3057
Na6	2.4906	2.1554	3.7641	2.1162	4.3057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.197	C1	O2	Na6	87.197
C1	O3	Na5	91.073	C1	O4	Na6	91.073
O2	C1	O3	117.976	O2	C1	O4	117.976
O2	Na5	O3	63.754	O2	Na6	O4	63.754
O3	C1	O4	124.049	Na5	O2	Na6	174.393

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

using model chemistry: B3LYP/6-31G(2df,p)

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	0.432
2	O	-0.505
3	O	-0.461
4	O	-0.461
5	Na	0.498
6	Na	0.498

	x	y	z	Total
	0.000	0.000	7.616	7.616
CHELPG
AIM
ESP

<r²>	176.363
(<r²>)^1/2	13.280

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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