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	hartrees
Energy at 0K	-585.068907
Energy at 298.15K	-585.071805
HF Energy	-585.068907
Nuclear repulsion energy	259.821661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1208	1162	393.78
2	A₁	891	857	145.78
3	A₁	673	648	0.13
4	A₁	372	357	35.82
5	A₁	237	228	15.28
6	A₂	123	118	0.00
7	B₁	791	761	26.03
8	B₁	98	95	52.00
9	B₂	1550	1491	652.49
10	B₂	714	687	14.73
11	B₂	407	392	31.79
12	B₂	385	370	73.00

Atom	y (Å)	z (Å)
C1	0.000	-0.575
O2	0.000	0.838
O3	1.152	-1.164
O4	-1.152	-1.164
Na5	2.078	0.698
Na6	-2.078	0.698

	C1	O2	O3	O4	Na5	Na6
C1		1.4130	1.2936	1.2936	2.4370	2.4370
O2	1.4130		2.3097	2.3097	2.0827	2.0827
O3	1.2936	2.3097		2.3033	2.0801	3.7282
O4	1.2936	2.3097	2.3033		3.7282	2.0801
Na5	2.4370	2.0827	2.0801	3.7282		4.1560
Na6	2.4370	2.0827	3.7282	2.0801	4.1560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	86.152	C1	O2	Na6	86.152
C1	O3	Na5	89.352	C1	O4	Na6	89.352
O2	C1	O3	117.094	O2	C1	O4	117.094
O2	Na5	O3	67.402	O2	Na6	O4	67.402
O3	C1	O4	125.812	Na5	O2	Na6	172.304

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

using model chemistry: B3LYP/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	0.756
2	O	-0.573
3	O	-0.564
4	O	-0.564
5	Na	0.472
6	Na	0.472

	x	y	z	Total
	0.000	0.000	7.173	7.173
CHELPG
AIM
ESP

<r²>	172.581
(<r²>)^1/2	13.137

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

using model chemistry: B3LYP/3-21G*

States and conformations

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