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	hartrees
Energy at 0K	-586.312586
Energy at 298.15K	-586.315675
HF Energy	-586.312586
Nuclear repulsion energy	260.751934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1488	1347	665.73
2	A₁	1123	1017	74.63
3	A₁	777	704	2.83
4	A₁	373	337	51.14
5	A₁	213	193	25.29
6	A₂	120	109	0.00
7	B₁	980	888	47.06
8	B₁	117	106	51.15
9	B₂	1722	1560	920.72
10	B₂	808	731	13.09
11	B₂	402	364	63.86
12	B₂	384	347	61.85

Atom	y (Å)	z (Å)
C1	0.000	-0.549
O2	0.000	0.773
O3	1.107	-1.136
O4	-1.107	-1.136
Na5	2.158	0.695
Na6	-2.158	0.695

	C1	O2	O3	O4	Na5	Na6
C1		1.3217	1.2529	1.2529	2.4911	2.4911
O2	1.3217		2.2064	2.2064	2.1598	2.1598
O3	1.2529	2.2064		2.2136	2.1114	3.7434
O4	1.2529	2.2064	2.2136		3.7434	2.1114
Na5	2.4911	2.1598	2.1114	3.7434		4.3167
Na6	2.4911	2.1598	3.7434	2.1114	4.3167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.934	C1	O2	Na6	87.934
C1	O3	Na5	91.928	C1	O4	Na6	91.928
O2	C1	O3	117.944	O2	C1	O4	117.944
O2	Na5	O3	62.195	O2	Na6	O4	62.195
O3	C1	O4	124.113	Na5	O2	Na6	175.868

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

using model chemistry: HF/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	0.669
2	O	-0.729
3	O	-0.646
4	O	-0.646
5	Na	0.676
6	Na	0.676

	x	y	z	Total
	0.000	0.000	8.434	8.434
CHELPG
AIM
ESP

<r²>	174.282
(<r²>)^1/2	13.202

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

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

States and conformations

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