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	hartrees
Energy at 0K	-586.866756
Energy at 298.15K	-586.869716
HF Energy	-586.284416
Nuclear repulsion energy	257.335985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1455	1344	644.92
2	A₁	1080	998	72.19
3	A₁	739	683	3.69
4	A₁	368	340	53.81
5	A₁	208	192	25.41
6	A₂	113	105	0.00
7	B₁	910	841	44.75
8	B₁	104	97	52.84
9	B₂	1701	1571	826.93
10	B₂	778	719	16.14
11	B₂	392	362	137.95
12	B₂	380	351	0.44

Atom	y (Å)	z (Å)
C1	0.000	-0.564
O2	0.000	0.778
O3	1.122	-1.160
O4	-1.122	-1.160
Na5	2.175	0.714
Na6	-2.175	0.714

	C1	O2	O3	O4	Na5	Na6
C1		1.3426	1.2700	1.2700	2.5233	2.5233
O2	1.3426		2.2393	2.2393	2.1764	2.1764
O3	1.2700	2.2393		2.2433	2.1500	3.7925
O4	1.2700	2.2393	2.2433		3.7925	2.1500
Na5	2.5233	2.1764	2.1500	3.7925		4.3509
Na6	2.5233	2.1764	3.7925	2.1500	4.3509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.312	C1	O2	Na6	88.312
C1	O3	Na5	91.383	C1	O4	Na6	91.383
O2	C1	O3	117.967	O2	C1	O4	117.967
O2	Na5	O3	62.337	O2	Na6	O4	62.337
O3	C1	O4	124.065	Na5	O2	Na6	176.623

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

using model chemistry: CID/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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All results from a given calculation for Na2CO3 (Sodium Carbonate)

using model chemistry: CID/6-31G*

States and conformations

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