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	hartrees
Energy at 0K	-586.045629
Energy at 298.15K	-586.048537
HF Energy	-586.045629
Nuclear repulsion energy	259.319343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1313	1298	543.64
2	A₁	988	977	115.75
3	A₁	693	685	0.67
4	A₁	351	346	43.39
5	A₁	207	205	23.71
6	A₂	120	119	0.00
7	B₁	823	813	13.79
8	B₁	121	119	58.50
9	B₂	1590	1572	705.56
10	B₂	734	725	4.76
11	B₂	382	378	72.47
12	B₂	371	367	30.44

Atom	y (Å)	z (Å)
C1	0.000	-0.565
O2	0.000	0.787
O3	1.124	-1.156
O4	-1.124	-1.156
Na5	2.138	0.708
Na6	-2.138	0.708

	C1	O2	O3	O4	Na5	Na6
C1		1.3525	1.2695	1.2695	2.4884	2.4884
O2	1.3525		2.2443	2.2443	2.1391	2.1391
O3	1.2695	2.2443		2.2480	2.1217	3.7567
O4	1.2695	2.2443	2.2480		3.7567	2.1217
Na5	2.4884	2.1391	2.1217	3.7567		4.2752
Na6	2.4884	2.1391	3.7567	2.1217	4.2752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.894	C1	O2	Na6	87.894
C1	O3	Na5	90.840	C1	O4	Na6	90.840
O2	C1	O3	117.698	O2	C1	O4	117.698
O2	Na5	O3	63.569	O2	Na6	O4	63.569
O3	C1	O4	124.605	Na5	O2	Na6	175.787

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

using model chemistry: LSDA/TZVP

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	0.395
2	O	-0.851
3	O	-0.597
4	O	-0.597
5	Na	0.825
6	Na	0.825

	x	y	z	Total
	0.000	0.000	8.453	8.453
CHELPG
AIM
ESP

<r²>	175.468
(<r²>)^1/2	13.246

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

using model chemistry: LSDA/TZVP

States and conformations

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