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	hartrees
Energy at 0K	-584.850465
Energy at 298.15K	-584.853307
HF Energy	-584.850465
Nuclear repulsion energy	257.944515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1231	1183	454.59
2	A₁	922	886	117.49
3	A₁	676	650	0.26
4	A₁	353	339	34.52
5	A₁	214	205	18.59
6	A₂	120	115	0.00
7	B₁	795	764	27.31
8	B₁	110	106	56.18
9	B₂	1569	1508	657.57
10	B₂	711	683	5.77
11	B₂	387	372	70.99
12	B₂	364	350	28.43

Atom	y (Å)	z (Å)
C1	0.000	-0.583
O2	0.000	0.814
O3	1.153	-1.169
O4	-1.153	-1.169
Na5	2.111	0.713
Na6	-2.111	0.713

	C1	O2	O3	O4	Na5	Na6
C1		1.3976	1.2928	1.2928	2.4774	2.4774
O2	1.3976		2.2935	2.2935	2.1135	2.1135
O3	1.2928	2.2935		2.3055	2.1117	3.7674
O4	1.2928	2.2935	2.3055		3.7674	2.1117
Na5	2.4774	2.1135	2.1117	3.7674		4.2222
Na6	2.4774	2.1135	3.7674	2.1117	4.2222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.259	C1	O2	Na6	87.259
C1	O3	Na5	90.073	C1	O4	Na6	90.073
O2	C1	O3	116.917	O2	C1	O4	116.917
O2	Na5	O3	65.751	O2	Na6	O4	65.751
O3	C1	O4	126.167	Na5	O2	Na6	174.518

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

using model chemistry: B3PW91/3-21G

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	0.752
2	O	-0.693
3	O	-0.624
4	O	-0.624
5	Na	0.595
6	Na	0.595

	x	y	z	Total
	0.000	0.000	7.892	7.892
CHELPG
AIM
ESP

<r²>	175.571
(<r²>)^1/2	13.250

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

using model chemistry: B3PW91/3-21G

States and conformations

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