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	hartrees
Energy at 0K	-588.185205
Energy at 298.15K	-588.188096
HF Energy	-588.185205
Nuclear repulsion energy	258.116163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1342	1291	589.15
2	A₁	1018	979	97.25
3	A₁	711	684	0.54
4	A₁	346	333	50.70
5	A₁	203	195	25.10
6	A₂	111	107	0.00
7	B₁	869	835	15.09
8	B₁	110	106	52.45
9	B₂	1583	1522	766.20
10	B₂	741	713	6.28
11	B₂	373	359	53.91
12	B₂	370	356	58.69

Atom	y (Å)	z (Å)
C1	0.000	-0.558
O2	0.000	0.787
O3	1.121	-1.156
O4	-1.121	-1.156
Na5	2.165	0.706
Na6	-2.165	0.706

	C1	O2	O3	O4	Na5	Na6
C1		1.3449	1.2705	1.2705	2.5067	2.5067
O2	1.3449		2.2431	2.2431	2.1662	2.1662
O3	1.2705	2.2431		2.2420	2.1345	3.7766
O4	1.2705	2.2431	2.2420		3.7766	2.1345
Na5	2.5067	2.1662	2.1345	3.7766		4.3294
Na6	2.5067	2.1662	3.7766	2.1345	4.3294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.860	C1	O2	Na6	87.860
C1	O3	Na5	91.195	C1	O4	Na6	91.195
O2	C1	O3	118.077	O2	C1	O4	118.077
O2	Na5	O3	62.868	O2	Na6	O4	62.868
O3	C1	O4	123.846	Na5	O2	Na6	175.719

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	0.962
2	O	-0.874
3	O	-0.710
4	O	-0.710
5	Na	0.666
6	Na	0.666

	x	y	z	Total
	0.000	0.000	8.465	8.465
CHELPG
AIM
ESP

<r²>	177.303
(<r²>)^1/2	13.316

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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