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	hartrees
Energy at 0K	-584.964468
Energy at 298.15K	-584.967119
HF Energy	-584.964468
Nuclear repulsion energy	255.201349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1103	1096	322.99
2	A₁	818	814	165.64
3	A₁	634	631	0.10
4	A₁	340	339	23.38
5	A₁	213	212	13.16
6	A₂	114	114	0.00
7	B₁	730	726	9.65
8	B₁	88	88	49.03
9	B₂	1444	1437	587.64
10	B₂	670	666	1.48
11	B₂	381	379	54.90
12	B₂	354	353	33.03

Atom	y (Å)	z (Å)
C1	0.000	-0.596
O2	0.000	0.839
O3	1.167	-1.186
O4	-1.167	-1.186
Na5	2.120	0.720
Na6	-2.120	0.720

	C1	O2	O3	O4	Na5	Na6
C1		1.4341	1.3082	1.3082	2.4951	2.4951
O2	1.4341		2.3373	2.3373	2.1232	2.1232
O3	1.3082	2.3373		2.3345	2.1314	3.8000
O4	1.3082	2.3373	2.3345		3.8000	2.1314
Na5	2.4951	2.1232	2.1314	3.8000		4.2398
Na6	2.4951	2.1232	3.8000	2.1314	4.2398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	86.806	C1	O2	Na6	86.806
C1	O3	Na5	89.701	C1	O4	Na6	89.701
O2	C1	O3	116.848	O2	C1	O4	116.848
O2	Na5	O3	66.645	O2	Na6	O4	66.645
O3	C1	O4	126.305	Na5	O2	Na6	173.613

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

using model chemistry: BLYP/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	0.673
2	O	-0.584
3	O	-0.536
4	O	-0.536
5	Na	0.491
6	Na	0.491

	x	y	z	Total
	0.000	0.000	6.960	6.960
CHELPG
AIM
ESP

<r²>	179.393
(<r²>)^1/2	13.394

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

using model chemistry: BLYP/3-21G

States and conformations

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