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	hartrees
Energy at 0K	-585.942986
Energy at 298.15K	-585.945919
HF Energy	-585.942986
Nuclear repulsion energy	259.760452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1330	1310	551.56
2	A₁	998	983	97.61
3	A₁	687	676	1.56
4	A₁	356	350	44.95
5	A₁	218	215	23.59
6	A₂	119	117	0.00
7	B₁	823	811	11.59
8	B₁	129	127	53.14
9	B₂	1596	1572	713.92
10	B₂	732	721	8.55
11	B₂	388	382	92.82
12	B₂	374	368	12.00

Atom	y (Å)	z (Å)
C1	0.000	-0.559
O2	0.000	0.795
O3	1.129	-1.155
O4	-1.129	-1.155
Na5	2.125	0.704
Na6	-2.125	0.704

	C1	O2	O3	O4	Na5	Na6
C1		1.3535	1.2770	1.2770	2.4713	2.4713
O2	1.3535		2.2533	2.2533	2.1265	2.1265
O3	1.2770	2.2533		2.2584	2.1086	3.7473
O4	1.2770	2.2533	2.2584		3.7473	2.1086
Na5	2.4713	2.1265	2.1086	3.7473		4.2490
Na6	2.4713	2.1265	3.7473	2.1086	4.2490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.547	C1	O2	Na6	87.547
C1	O3	Na5	90.323	C1	O4	Na6	90.323
O2	C1	O3	117.843	O2	C1	O4	117.843
O2	Na5	O3	64.287	O2	Na6	O4	64.287
O3	C1	O4	124.313	Na5	O2	Na6	175.095

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

using model chemistry: LSDA/6-31+G**

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	0.673
2	O	-1.008
3	O	-0.650
4	O	-0.650
5	Na	0.818
6	Na	0.818

	x	y	z	Total
	0.000	0.000	8.259	8.259
CHELPG
AIM
ESP

<r²>	174.608
(<r²>)^1/2	13.214

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

using model chemistry: LSDA/6-31+G**

States and conformations

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