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	hartrees
Energy at 0K	-588.081905
Energy at 298.15K	-588.084828
HF Energy	-588.081905
Nuclear repulsion energy	258.418952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1352	1296	563.59
2	A₁	1018	976	100.05
3	A₁	713	684	1.07
4	A₁	356	341	44.55
5	A₁	209	200	22.43
6	A₂	115	110	0.00
7	B₁	864	828	22.46
8	B₁	112	107	53.74
9	B₂	1618	1551	767.23
10	B₂	750	718	6.74
11	B₂	384	368	80.50
12	B₂	377	362	33.40

Atom	y (Å)	z (Å)
C1	0.000	-0.564
O2	0.000	0.785
O3	1.122	-1.158
O4	-1.122	-1.158
Na5	2.154	0.711
Na6	-2.154	0.711

	C1	O2	O3	O4	Na5	Na6
C1		1.3496	1.2696	1.2696	2.5028	2.5028
O2	1.3496		2.2443	2.2443	2.1550	2.1550
O3	1.2696	2.2443		2.2442	2.1349	3.7715
O4	1.2696	2.2443	2.2442		3.7715	2.1349
Na5	2.5028	2.1550	2.1349	3.7715		4.3074
Na6	2.5028	2.1550	3.7715	2.1349	4.3074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.018	C1	O2	Na6	88.018
C1	O3	Na5	90.997	C1	O4	Na6	90.997
O2	C1	O3	117.898	O2	C1	O4	117.898
O2	Na5	O3	63.087	O2	Na6	O4	63.087
O3	C1	O4	124.205	Na5	O2	Na6	176.035

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

using model chemistry: PBE1PBE/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	0.555
2	O	-0.705
3	O	-0.561
4	O	-0.561
5	Na	0.637
6	Na	0.637

	x	y	z	Total
	0.000	0.000	8.242	8.242
CHELPG
AIM
ESP

<r²>	176.508
(<r²>)^1/2	13.286

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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