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	hartrees
Energy at 0K	-588.005490
Energy at 298.15K	-588.008301
HF Energy	-588.005490
Nuclear repulsion energy	256.750940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1252	1239	435.30
2	A₁	942	932	110.72
3	A₁	674	667	0.51
4	A₁	345	342	33.06
5	A₁	210	208	17.51
6	A₂	111	110	0.00
7	B₁	806	798	6.89
8	B₁	111	110	47.55
9	B₂	1520	1505	684.13
10	B₂	707	699	4.49
11	B₂	374	370	4.77
12	B₂	368	364	103.77

Atom	y (Å)	z (Å)
C1	0.000	-0.557
O2	0.000	0.814
O3	1.133	-1.163
O4	-1.133	-1.163
Na5	2.164	0.702
Na6	-2.164	0.702

	C1	O2	O3	O4	Na5	Na6
C1		1.3701	1.2848	1.2848	2.5031	2.5031
O2	1.3701		2.2780	2.2780	2.1667	2.1667
O3	1.2848	2.2780		2.2654	2.1308	3.7873
O4	1.2848	2.2780	2.2654		3.7873	2.1308
Na5	2.5031	2.1667	2.1308	3.7873		4.3276
Na6	2.5031	2.1667	3.7873	2.1308	4.3276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.042	C1	O2	Na6	87.042
C1	O3	Na5	90.782	C1	O4	Na6	90.782
O2	C1	O3	118.160	O2	C1	O4	118.160
O2	Na5	O3	64.016	O2	Na6	O4	64.016
O3	C1	O4	123.680	Na5	O2	Na6	174.085

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

using model chemistry: PBEPBE/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	0.406
2	O	-0.470
3	O	-0.431
4	O	-0.431
5	Na	0.463
6	Na	0.463

	x	y	z	Total
	0.000	0.000	7.351	7.351
CHELPG
AIM
ESP

<r²>	178.597
(<r²>)^1/2	13.364

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

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

States and conformations

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