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	hartrees
Energy at 0K	-587.976110
Energy at 298.15K	-587.978868
HF Energy	-587.976110
Nuclear repulsion energy	256.235497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1271	1252	444.99
2	A₁	949	936	97.09
3	A₁	670	661	1.32
4	A₁	343	338	32.44
5	A₁	208	205	18.64
6	A₂	110	108	0.00
7	B₁	796	785	9.94
8	B₁	99	97	48.65
9	B₂	1539	1517	677.32
10	B₂	710	700	2.42
11	B₂	378	373	51.57
12	B₂	365	360	54.33

Atom	y (Å)	z (Å)
C1	0.000	-0.564
O2	0.000	0.808
O3	1.137	-1.173
O4	-1.137	-1.173
Na5	2.157	0.713
Na6	-2.157	0.713

	C1	O2	O3	O4	Na5	Na6
C1		1.3725	1.2896	1.2896	2.5072	2.5072
O2	1.3725		2.2843	2.2843	2.1594	2.1594
O3	1.2896	2.2843		2.2737	2.1447	3.7961
O4	1.2896	2.2843	2.2737		3.7961	2.1447
Na5	2.5072	2.1594	2.1447	3.7961		4.3147
Na6	2.5072	2.1594	3.7961	2.1447	4.3147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.479	C1	O2	Na6	87.479
C1	O3	Na5	90.241	C1	O4	Na6	90.241
O2	C1	O3	118.172	O2	C1	O4	118.172
O2	Na5	O3	64.108	O2	Na6	O4	64.108
O3	C1	O4	123.657	Na5	O2	Na6	174.959

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

using model chemistry: PBEPBE/6-31G*

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	0.763
2	O	-0.658
3	O	-0.588
4	O	-0.588
5	Na	0.536
6	Na	0.536

	x	y	z	Total
	0.000	0.000	7.644	7.644
CHELPG
AIM
ESP

<r²>	178.876
(<r²>)^1/2	13.374

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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