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	hartrees
Energy at 0K	-588.440932
Energy at 298.15K	-588.443652
HF Energy	-588.440932
Nuclear repulsion energy	255.401187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1227	1218	417.58
2	A₁	918	911	113.82
3	A₁	663	657	0.50
4	A₁	340	337	30.97
5	A₁	204	202	17.77
6	A₂	111	110	0.00
7	B₁	784	778	9.99
8	B₁	98	97	47.46
9	B₂	1499	1487	673.07
10	B₂	702	697	1.70
11	B₂	375	372	65.08
12	B₂	361	358	39.69

Atom	y (Å)	z (Å)
C1	0.000	-0.556
O2	0.000	0.809
O3	1.137	-1.168
O4	-1.137	-1.168
Na5	2.160	0.707
Na6	-2.160	0.707

	C1	O2	O3	O4	Na5	Na6
C1		1.3653	1.2910	1.2910	2.5022	2.5022
O2	1.3653		2.2808	2.2808	2.1623	2.1623
O3	1.2910	2.2808		2.2733	2.1362	3.7926
O4	1.2910	2.2808	2.2733		3.7926	2.1362
Na5	2.5022	2.1623	2.1362	3.7926		4.3198
Na6	2.5022	2.1623	3.7926	2.1362	4.3198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.294	C1	O2	Na6	87.294
C1	O3	Na5	90.320	C1	O4	Na6	90.320
O2	C1	O3	118.299	O2	C1	O4	118.299
O2	Na5	O3	64.087	O2	Na6	O4	64.087
O3	C1	O4	123.402	Na5	O2	Na6	174.588

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

using model chemistry: BLYP/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	0.780
2	O	-0.644
3	O	-0.581
4	O	-0.581
5	Na	0.513
6	Na	0.513

	x	y	z	Total
	0.000	0.000	7.512	7.512
CHELPG
AIM
ESP

<r²>	179.978
(<r²>)^1/2	13.416

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

using model chemistry: BLYP/6-31G*

States and conformations

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