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	hartrees
Energy at 0K	-54.055006
Energy at 298.15K	-54.057663
HF Energy	-54.055006
Nuclear repulsion energy	62.088101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1204	1174	555.73
2	A₁	897	874	102.85
3	A₁	635	619	0.00
4	A₁	320	312	48.39
5	A₁	186	181	24.57
6	A₂	116	113	0.00
7	B₁	749	730	25.49
8	B₁	123	119	66.11
9	B₂	1486	1448	656.28
10	B₂	671	654	7.83
11	B₂	351	342	92.51
12	B₂	327	319	14.24

Atom	y (Å)	z (Å)
C1	0.000	-0.599
O2	0.000	0.814
O3	1.173	-1.192
O4	-1.173	-1.192
Na5	2.178	0.735
Na6	-2.178	0.735

	C1	O2	O3	O4	Na5	Na6
C1		1.4130	1.3144	1.3144	2.5536	2.5536
O2	1.4130		2.3239	2.3239	2.1790	2.1790
O3	1.3144	2.3239		2.3459	2.1731	3.8651
O4	1.3144	2.3239	2.3459		3.8651	2.1731
Na5	2.5536	2.1790	2.1731	3.8651		4.3552
Na6	2.5536	2.1790	3.8651	2.1731	4.3552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.916	C1	O2	Na6	87.916
C1	O3	Na5	90.712	C1	O4	Na6	90.712
O2	C1	O3	116.824	O2	C1	O4	116.824
O2	Na5	O3	64.547	O2	Na6	O4	64.547
O3	C1	O4	126.351	Na5	O2	Na6	175.833

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

using model chemistry: B3LYP/CEP-121G

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	0.098
2	O	-0.786
3	O	-0.488
4	O	-0.488
5	Na	0.832
6	Na	0.832

	x	y	z	Total
	0.000	0.000	9.162	9.162
CHELPG
AIM
ESP

<r²>	61.137
(<r²>)^1/2	7.819

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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