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	hartrees
Energy at 0K	-584.972050
Energy at 298.15K	-584.974846
HF Energy	-584.972050
Nuclear repulsion energy	258.950190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1271	1205	462.37
2	A₁	941	892	124.58
3	A₁	680	645	0.30
4	A₁	340	322	41.54
5	A₁	205	194	20.77
6	A₂	118	112	0.00
7	B₁	817	775	34.12
8	B₁	119	113	55.10
9	B₂	1607	1523	701.86
10	B₂	707	670	11.37
11	B₂	369	350	85.54
12	B₂	345	327	31.75

Atom	y (Å)	z (Å)
C1	0.000	-0.561
O2	0.000	0.808
O3	1.142	-1.159
O4	-1.142	-1.159
Na5	2.145	0.702
Na6	-2.145	0.702

	C1	O2	O3	O4	Na5	Na6
C1		1.3690	1.2891	1.2891	2.4893	2.4893
O2	1.3690		2.2746	2.2746	2.1473	2.1473
O3	1.2891	2.2746		2.2838	2.1147	3.7773
O4	1.2891	2.2746	2.2838		3.7773	2.1147
Na5	2.4893	2.1473	2.1147	3.7773		4.2895
Na6	2.4893	2.1473	3.7773	2.1147	4.2895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.187	C1	O2	Na6	87.187
C1	O3	Na5	90.663	C1	O4	Na6	90.663
O2	C1	O3	117.647	O2	C1	O4	117.647
O2	Na5	O3	64.503	O2	Na6	O4	64.503
O3	C1	O4	124.707	Na5	O2	Na6	174.373

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

using model chemistry: wB97X-D/3-21G*

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	0.785
2	O	-0.629
3	O	-0.607
4	O	-0.607
5	Na	0.529
6	Na	0.529

	x	y	z	Total
	0.000	0.000	7.836	7.836
CHELPG
AIM
ESP

<r²>	173.975
(<r²>)^1/2	13.190

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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