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	hartrees
Energy at 0K	-586.963685
Energy at 298.15K	-586.966555
HF Energy	-586.281655
Nuclear repulsion energy	255.238116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1368	1288	566.99
2	A₁	1012	953	80.14
3	A₁	705	664	2.48
4	A₁	359	338	48.29
5	A₁	205	193	23.51
6	A₂	111	104	0.00
7	B₁	856	806	29.70
8	B₁	99	93	52.11
9	B₂	1622	1527	731.54
10	B₂	744	700	11.29
11	B₂	385	362	126.48
12	B₂	370	348	9.27

Atom	y (Å)	z (Å)
C1	0.000	-0.571
O2	0.000	0.789
O3	1.132	-1.173
O4	-1.132	-1.173
Na5	2.186	0.722
Na6	-2.186	0.722

	C1	O2	O3	O4	Na5	Na6
C1		1.3599	1.2824	1.2824	2.5390	2.5390
O2	1.3599		2.2655	2.2655	2.1866	2.1866
O3	1.2824	2.2655		2.2640	2.1680	3.8206
O4	1.2824	2.2655	2.2640		3.8206	2.1680
Na5	2.5390	2.1866	2.1680	3.8206		4.3711
Na6	2.5390	2.1866	3.8206	2.1680	4.3711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.227	C1	O2	Na6	88.227
C1	O3	Na5	91.047	C1	O4	Na6	91.047
O2	C1	O3	118.028	O2	C1	O4	118.028
O2	Na5	O3	62.698	O2	Na6	O4	62.698
O3	C1	O4	123.944	Na5	O2	Na6	176.454

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

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

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