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	hartrees
Energy at 0K	-588.359574
Energy at 298.15K	-588.362204
HF Energy	-588.359574
Nuclear repulsion energy	252.331008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1141	1133	386.31
2	A₁	850	843	128.21
3	A₁	629	625	0.02
4	A₁	332	330	30.05
5	A₁	197	196	17.94
6	A₂	112	111	0.00
7	B₁	727	721	13.06
8	B₁	111	110	54.92
9	B₂	1449	1438	571.07
10	B₂	671	666	1.95
11	B₂	369	366	83.92
12	B₂	340	338	16.96

Atom	y (Å)	z (Å)
C1	0.000	-0.595
O2	0.000	0.824
O3	1.168	-1.197
O4	-1.168	-1.197
Na5	2.166	0.733
Na6	-2.166	0.733

	C1	O2	O3	O4	Na5	Na6
C1		1.4191	1.3141	1.3141	2.5410	2.5410
O2	1.4191		2.3343	2.3343	2.1682	2.1682
O3	1.3141	2.3343		2.3365	2.1727	3.8528
O4	1.3141	2.3343	2.3365		3.8528	2.1727
Na5	2.5410	2.1682	2.1727	3.8528		4.3327
Na6	2.5410	2.1682	3.8528	2.1727	4.3327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.594	C1	O2	Na6	87.594
C1	O3	Na5	90.094	C1	O4	Na6	90.094
O2	C1	O3	117.253	O2	C1	O4	117.253
O2	Na5	O3	65.060	O2	Na6	O4	65.060
O3	C1	O4	125.494	Na5	O2	Na6	175.187

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

using model chemistry: BLYP/6-31G

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	0.553
2	O	-0.689
3	O	-0.555
4	O	-0.555
5	Na	0.623
6	Na	0.623

	x	y	z	Total
	0.000	0.000	7.899	7.899
CHELPG
AIM
ESP

<r²>	183.417
(<r²>)^1/2	13.543

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

using model chemistry: BLYP/6-31G

States and conformations

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