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	hartrees
Energy at 0K	-588.494555
Energy at 298.15K	-588.497482
HF Energy	-588.494555
Nuclear repulsion energy	258.116463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1355	1301	575.80
2	A₁	1023	982	97.99
3	A₁	710	682	0.99
4	A₁	349	335	46.67
5	A₁	219	211	21.08
6	A₂	112	107	0.00
7	B₁	863	829	23.31
8	B₁	108	104	54.25
9	B₂	1619	1555	777.38
10	B₂	747	717	7.44
11	B₂	391	376	42.24
12	B₂	367	352	74.65

Atom	y (Å)	z (Å)
C1	0.000	-0.562
O2	0.000	0.785
O3	1.121	-1.156
O4	-1.121	-1.156
Na5	2.164	0.709
Na6	-2.164	0.709

	C1	O2	O3	O4	Na5	Na6
C1		1.3470	1.2680	1.2680	2.5102	2.5102
O2	1.3470		2.2408	2.2408	2.1658	2.1658
O3	1.2680	2.2408		2.2410	2.1372	3.7774
O4	1.2680	2.2408	2.2410		3.7774	2.1372
Na5	2.5102	2.1658	2.1372	3.7774		4.3289
Na6	2.5102	2.1658	3.7774	2.1372	4.3289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.997	C1	O2	Na6	87.997
C1	O3	Na5	91.328	C1	O4	Na6	91.328
O2	C1	O3	117.912	O2	C1	O4	117.912
O2	Na5	O3	62.763	O2	Na6	O4	62.763
O3	C1	O4	124.176	Na5	O2	Na6	175.995

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

using model chemistry: B1B95/6-311G**

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	0.540
2	O	-0.696
3	O	-0.558
4	O	-0.558
5	Na	0.635
6	Na	0.635

	x	y	z	Total
	0.000	0.000	8.267	8.267
CHELPG
AIM
ESP

<r²>	177.130
(<r²>)^1/2	13.309

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

using model chemistry: B1B95/6-311G**

States and conformations

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