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	hartrees
Energy at 0K	-53.082508
Energy at 298.15K	-53.085487
HF Energy	-53.082508
Nuclear repulsion energy	64.485483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1493	1341	778.01
2	A₁	1115	1001	75.78
3	A₁	767	689	3.25
4	A₁	339	305	61.67
5	A₁	209	187	25.09
6	A₂	111	100	0.00
7	B₁	956	858	58.80
8	B₁	118	106	59.26
9	B₂	1723	1548	999.96
10	B₂	808	725	12.27
11	B₂	407	365	7.65
12	B₂	361	324	110.33

Atom	y (Å)	z (Å)
C1	0.000	-0.565
O2	0.000	0.771
O3	1.120	-1.158
O4	-1.120	-1.158
Na5	2.173	0.715
Na6	-2.173	0.715

	C1	O2	O3	O4	Na5	Na6
C1		1.3361	1.2673	1.2673	2.5224	2.5224
O2	1.3361		2.2306	2.2306	2.1741	2.1741
O3	1.2673	2.2306		2.2401	2.1489	3.7888
O4	1.2673	2.2306	2.2401		3.7888	2.1489
Na5	2.5224	2.1741	2.1489	3.7888		4.3468
Na6	2.5224	2.1741	3.7888	2.1489	4.3468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.524	C1	O2	Na6	88.524
C1	O3	Na5	91.456	C1	O4	Na6	91.456
O2	C1	O3	117.896	O2	C1	O4	117.896
O2	Na5	O3	62.124	O2	Na6	O4	62.124
O3	C1	O4	124.207	Na5	O2	Na6	177.047

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

using model chemistry: HF/CEP-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	0.378
2	O	-0.757
3	O	-0.534
4	O	-0.534
5	Na	0.724
6	Na	0.724

	x	y	z	Total
	0.000	0.000	9.314	9.314
CHELPG
AIM
ESP

<r²>	57.327
(<r²>)^1/2	7.571

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

using model chemistry: HF/CEP-31G*

States and conformations

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