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	hartrees
Energy at 0K	-588.092913
Energy at 298.15K	-588.095841
HF Energy	-588.092913
Nuclear repulsion energy	258.082028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1351	1300	596.98
2	A₁	1010	971	106.64
3	A₁	702	675	0.80
4	A₁	351	337	38.94
5	A₁	209	202	21.74
6	A₂	121	117	0.00
7	B₁	855	823	19.81
8	B₁	119	114	53.85
9	B₂	1625	1563	801.45
10	B₂	740	712	6.15
11	B₂	381	367	85.75
12	B₂	369	355	27.06

Atom	y (Å)	z (Å)
C1	0.000	-0.564
O2	0.000	0.791
O3	1.126	-1.160
O4	-1.126	-1.160
Na5	2.153	0.710
Na6	-2.153	0.710

	C1	O2	O3	O4	Na5	Na6
C1		1.3558	1.2740	1.2740	2.5015	2.5015
O2	1.3558		2.2529	2.2529	2.1543	2.1543
O3	1.2740	2.2529		2.2529	2.1326	3.7746
O4	1.2740	2.2529	2.2529		3.7746	2.1326
Na5	2.5015	2.1543	2.1326	3.7746		4.3055
Na6	2.5015	2.1543	3.7746	2.1326	4.3055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.826	C1	O2	Na6	87.826
C1	O3	Na5	90.914	C1	O4	Na6	90.914
O2	C1	O3	117.854	O2	C1	O4	117.854
O2	Na5	O3	63.406	O2	Na6	O4	63.406
O3	C1	O4	124.293	Na5	O2	Na6	175.653

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.370
2	O	-0.560
3	O	-0.439
4	O	-0.439
5	Na	0.534
6	Na	0.534

	x	y	z	Total
	0.000	0.000	8.131	8.131
CHELPG
AIM
ESP

<r²>	176.714
(<r²>)^1/2	13.293

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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