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	hartrees
Energy at 0K	-587.289870
Energy at 298.15K	-587.292752
HF Energy	-586.416958
Nuclear repulsion energy	254.900132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1387	1327	677.66
2	A₁	1042	997	77.29
3	A₁	723	692	1.91
4	A₁	356	340	65.55
5	A₁	192	184	28.24
6	A₂	105	101	0.00
7	B₁	894	855	20.02
8	B₁	107	103	53.47
9	B₂	1612	1542	806.38
10	B₂	751	719	19.84
11	B₂	380	363	141.65
12	B₂	355	340	7.36

Atom	y (Å)	z (Å)
C1	0.000	-0.568
O2	0.000	0.776
O3	1.121	-1.166
O4	-1.121	-1.166
Na5	2.215	0.721
Na6	-2.215	0.721

	C1	O2	O3	O4	Na5	Na6
C1		1.3441	1.2708	1.2708	2.5632	2.5632
O2	1.3441		2.2426	2.2426	2.2161	2.2161
O3	1.2708	2.2426		2.2425	2.1814	3.8334
O4	1.2708	2.2426	2.2425		3.8334	2.1814
Na5	2.5632	2.2161	2.1814	3.8334		4.4309
Na6	2.5632	2.2161	3.8334	2.1814	4.4309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.578	C1	O2	Na6	88.578
C1	O3	Na5	92.029	C1	O4	Na6	92.029
O2	C1	O3	118.076	O2	C1	O4	118.076
O2	Na5	O3	61.316	O2	Na6	O4	61.316
O3	C1	O4	123.847	Na5	O2	Na6	177.157

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

using model chemistry: CCD/aug-cc-pVTZ

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

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

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