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	hartrees
Energy at 0K	-580.675758
Energy at 298.15K	-580.679059
HF Energy	-580.675758
Nuclear repulsion energy	266.404882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1398	1238	211.56
2	A₁	979	867	20.95
3	A₁	774	685	14.21
4	A₁	480	425	26.49
5	A₁	364	322	14.11
6	A₂	151	134	0.00
7	B₁	697	617	22.78
8	B₁	127	112	46.60
9	B₂	1684	1491	340.47
10	B₂	907	803	61.04
11	B₂	628	556	1.47
12	B₂	499	441	77.90

Atom	y (Å)	z (Å)
C1	0.000	-0.551
O2	0.000	0.863
O3	1.190	-1.144
O4	-1.190	-1.144
Na5	1.956	0.669
Na6	-1.956	0.669

	C1	O2	O3	O4	Na5	Na6
C1		1.4140	1.3300	1.3300	2.3054	2.3054
O2	1.4140		2.3339	2.3339	1.9660	1.9660
O3	1.3300	2.3339		2.3805	1.9684	3.6316
O4	1.3300	2.3339	2.3805		3.6316	1.9684
Na5	2.3054	1.9660	1.9684	3.6316		3.9128
Na6	2.3054	1.9660	3.6316	1.9684	3.9128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	84.326	C1	O2	Na6	84.326
C1	O3	Na5	86.404	C1	O4	Na6	86.404
O2	C1	O3	116.503	O2	C1	O4	116.503
O2	Na5	O3	72.767	O2	Na6	O4	72.767
O3	C1	O4	126.994	Na5	O2	Na6	168.653

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

using model chemistry: B3PW91/STO-3G

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	0.115
2	O	-0.470
3	O	-0.406
4	O	-0.406
5	Na	0.583
6	Na	0.583

	x	y	z	Total
	0.000	0.000	6.957	6.957
CHELPG
AIM
ESP

<r²>	158.885
(<r²>)^1/2	12.605

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

using model chemistry: B3PW91/STO-3G

States and conformations

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