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	hartrees
Energy at 0K	-588.463868
Energy at 298.15K	-588.466599
HF Energy	-588.463868
Nuclear repulsion energy	254.170652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1217	1210	492.77
2	A₁	918	913	128.07
3	A₁	657	653	0.00
4	A₁	331	330	43.87
5	A₁	197	196	22.87
6	A₂	113	113	0.00
7	B₁	791	786	9.82
8	B₁	123	122	52.38
9	B₂	1476	1469	696.19
10	B₂	696	693	3.75
11	B₂	362	360	103.32
12	B₂	344	343	4.73

Atom	y (Å)	z (Å)
C1	0.000	-0.575
O2	0.000	0.806
O3	1.146	-1.180
O4	-1.146	-1.180
Na5	2.180	0.722
Na6	-2.180	0.722

	C1	O2	O3	O4	Na5	Na6
C1		1.3817	1.2954	1.2954	2.5367	2.5367
O2	1.3817		2.2929	2.2929	2.1817	2.1817
O3	1.2954	2.2929		2.2914	2.1646	3.8310
O4	1.2954	2.2929	2.2914		3.8310	2.1646
Na5	2.5367	2.1817	2.1646	3.8310		4.3600
Na6	2.5367	2.1817	3.8310	2.1646	4.3600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.778	C1	O2	Na6	87.778
C1	O3	Na5	90.726	C1	O4	Na6	90.726
O2	C1	O3	117.817	O2	C1	O4	117.817
O2	Na5	O3	63.679	O2	Na6	O4	63.679
O3	C1	O4	124.366	Na5	O2	Na6	175.555

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

using model chemistry: BLYP/6-31+G**

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	0.670
2	O	-0.986
3	O	-0.667
4	O	-0.667
5	Na	0.825
6	Na	0.825

	x	y	z	Total
	0.000	0.000	8.306	8.306
CHELPG
AIM
ESP

<r²>	182.258
(<r²>)^1/2	13.500

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

using model chemistry: BLYP/6-31+G**

States and conformations

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