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	hartrees
Energy at 0K	-586.979289
Energy at 298.15K	-586.982151
HF Energy	-586.282909
Nuclear repulsion energy	256.954052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1380	1310	564.91
2	A₁	1023	972	91.19
3	A₁	711	675	1.55
4	A₁	349	332	45.26
5	A₁	209	198	23.42
6	A₂	111	105	0.00
7	B₁	871	827	31.92
8	B₁	102	97	53.06
9	B₂	1635	1553	790.73
10	B₂	747	710	7.08
11	B₂	380	361	52.85
12	B₂	370	351	66.36

Atom	y (Å)	z (Å)
C1	0.000	-0.565
O2	0.000	0.791
O3	1.129	-1.165
O4	-1.129	-1.165
Na5	2.165	0.714
Na6	-2.165	0.714

	C1	O2	O3	O4	Na5	Na6
C1		1.3561	1.2788	1.2788	2.5145	2.5145
O2	1.3561		2.2590	2.2590	2.1664	2.1664
O3	1.2788	2.2590		2.2581	2.1459	3.7925
O4	1.2788	2.2590	2.2581		3.7925	2.1459
Na5	2.5145	2.1664	2.1459	3.7925		4.3301
Na6	2.5145	2.1664	3.7925	2.1459	4.3301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.957	C1	O2	Na6	87.957
C1	O3	Na5	90.862	C1	O4	Na6	90.862
O2	C1	O3	118.003	O2	C1	O4	118.003
O2	Na5	O3	63.178	O2	Na6	O4	63.178
O3	C1	O4	123.994	Na5	O2	Na6	175.914

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

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