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	hartrees
Energy at 0K	-588.476080
Energy at 298.15K	-588.478815
HF Energy	-588.476080
Nuclear repulsion energy	253.491045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1209	1162	503.87
2	A₁	904	869	120.54
3	A₁	648	623	0.09
4	A₁	342	328	44.01
5	A₁	196	189	23.62
6	A₂	120	115	0.00
7	B₁	769	739	27.19
8	B₁	126	121	61.02
9	B₂	1516	1457	655.15
10	B₂	690	663	9.21
11	B₂	374	359	99.63
12	B₂	342	329	8.37

Atom	y (Å)	z (Å)
C1	0.000	-0.600
O2	0.000	0.807
O3	1.166	-1.187
O4	-1.166	-1.187
Na5	2.162	0.733
Na6	-2.162	0.733

	C1	O2	O3	O4	Na5	Na6
C1		1.4069	1.3050	1.3050	2.5400	2.5400
O2	1.4069		2.3097	2.3097	2.1634	2.1634
O3	1.3050	2.3097		2.3310	2.1633	3.8418
O4	1.3050	2.3097	2.3310		3.8418	2.1633
Na5	2.5400	2.1634	2.1633	3.8418		4.3242
Na6	2.5400	2.1634	3.8418	2.1633	4.3242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.040	C1	O2	Na6	88.040
C1	O3	Na5	90.695	C1	O4	Na6	90.695
O2	C1	O3	116.736	O2	C1	O4	116.736
O2	Na5	O3	64.529	O2	Na6	O4	64.529
O3	C1	O4	126.528	Na5	O2	Na6	176.079

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

using model chemistry: B3LYP/SDD

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	0.317
2	O	-0.751
3	O	-0.529
4	O	-0.529
5	Na	0.746
6	Na	0.746

	x	y	z	Total
	0.000	0.000	8.748	8.748
CHELPG
AIM
ESP

<r²>	181.812
(<r²>)^1/2	13.484

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

using model chemistry: B3LYP/SDD

States and conformations

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