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	hartrees
Energy at 0K	-588.393570
Energy at 298.15K	-588.396454
HF Energy	-588.393570
Nuclear repulsion energy	257.637684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1331	1281	555.85
2	A₁	1002	965	103.59
3	A₁	707	680	0.66
4	A₁	351	338	45.14
5	A₁	205	197	22.49
6	A₂	114	110	0.00
7	B₁	856	824	21.66
8	B₁	111	107	54.21
9	B₂	1598	1538	754.68
10	B₂	742	714	6.42
11	B₂	377	363	95.85
12	B₂	371	357	19.28

Atom	y (Å)	z (Å)
C1	0.000	-0.567
O2	0.000	0.787
O3	1.125	-1.161
O4	-1.125	-1.161
Na5	2.162	0.713
Na6	-2.162	0.713

	C1	O2	O3	O4	Na5	Na6
C1		1.3535	1.2722	1.2722	2.5120	2.5120
O2	1.3535		2.2496	2.2496	2.1629	2.1629
O3	1.2722	2.2496		2.2491	2.1423	3.7832
O4	1.2722	2.2496	2.2491		3.7832	2.1423
Na5	2.5120	2.1629	2.1423	3.7832		4.3232
Na6	2.5120	2.1629	3.7832	2.1423	4.3232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.046	C1	O2	Na6	88.046
C1	O3	Na5	91.075	C1	O4	Na6	91.075
O2	C1	O3	117.877	O2	C1	O4	117.877
O2	Na5	O3	63.002	O2	Na6	O4	63.002
O3	C1	O4	124.246	Na5	O2	Na6	176.091

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

using model chemistry: B3PW91/6-311G*

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	0.547
2	O	-0.706
3	O	-0.561
4	O	-0.561
5	Na	0.641
6	Na	0.641

	x	y	z	Total
	0.000	0.000	8.292	8.292
CHELPG
AIM
ESP

<r²>	177.490
(<r²>)^1/2	13.323

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

using model chemistry: B3PW91/6-311G*

States and conformations

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