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	hartrees
Energy at 0K	-586.285557
Energy at 298.15K	-586.288611
HF Energy	-586.285557
Nuclear repulsion energy	260.277639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1515	1361	695.58
2	A₁	1131	1016	70.89
3	A₁	774	696	3.62
4	A₁	370	332	52.35
5	A₁	213	191	26.98
6	A₂	120	108	0.00
7	B₁	970	871	68.71
8	B₁	112	101	53.37
9	B₂	1752	1574	926.18
10	B₂	812	730	11.67
11	B₂	395	355	116.38
12	B₂	390	350	7.70

Atom	y (Å)	z (Å)
C1	0.000	-0.556
O2	0.000	0.769
O3	1.111	-1.143
O4	-1.111	-1.143
Na5	2.154	0.704
Na6	-2.154	0.704

	C1	O2	O3	O4	Na5	Na6
C1		1.3247	1.2571	1.2571	2.4950	2.4950
O2	1.3247		2.2116	2.2116	2.1547	2.1547
O3	1.2571	2.2116		2.2230	2.1207	3.7513
O4	1.2571	2.2116	2.2230		3.7513	2.1207
Na5	2.4950	2.1547	2.1207	3.7513		4.3074
Na6	2.4950	2.1547	3.7513	2.1207	4.3074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.268	C1	O2	Na6	88.268
C1	O3	Na5	91.583	C1	O4	Na6	91.583
O2	C1	O3	117.852	O2	C1	O4	117.852
O2	Na5	O3	62.297	O2	Na6	O4	62.297
O3	C1	O4	124.297	Na5	O2	Na6	176.537

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

using model chemistry: HF/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	1.096
2	O	-0.906
3	O	-0.801
4	O	-0.801
5	Na	0.706
6	Na	0.706

	x	y	z	Total
	0.000	0.000	8.810	8.810
CHELPG
AIM
ESP

<r²>	174.493
(<r²>)^1/2	13.210

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

using model chemistry: HF/6-31G*

States and conformations

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