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	hartrees
Energy at 0K	-588.113896
Energy at 298.15K	-588.116777
HF Energy	-588.113896
Nuclear repulsion energy	257.630535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1345	1294	595.15
2	A₁	1012	974	87.22
3	A₁	704	677	0.81
4	A₁	347	334	51.68
5	A₁	204	197	25.21
6	A₂	113	109	0.00
7	B₁	858	825	14.42
8	B₁	108	104	53.71
9	B₂	1586	1526	747.69
10	B₂	736	708	6.52
11	B₂	373	359	93.69
12	B₂	366	353	20.95

Atom	y (Å)	z (Å)
C1	0.000	-0.557
O2	0.000	0.793
O3	1.127	-1.157
O4	-1.127	-1.157
Na5	2.166	0.705
Na6	-2.166	0.705

	C1	O2	O3	O4	Na5	Na6
C1		1.3496	1.2767	1.2767	2.5066	2.5066
O2	1.3496		2.2520	2.2520	2.1675	2.1675
O3	1.2767	2.2520		2.2535	2.1326	3.7827
O4	1.2767	2.2520	2.2535		3.7827	2.1326
Na5	2.5066	2.1675	2.1326	3.7827		4.3316
Na6	2.5066	2.1675	3.7827	2.1326	4.3316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.684	C1	O2	Na6	87.684
C1	O3	Na5	91.110	C1	O4	Na6	91.110
O2	C1	O3	118.049	O2	C1	O4	118.049
O2	Na5	O3	63.157	O2	Na6	O4	63.157
O3	C1	O4	123.902	Na5	O2	Na6	175.369

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

using model chemistry: HSEh1PBE/aug-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	0.949
2	O	-1.040
3	O	-0.727
4	O	-0.727
5	Na	0.772
6	Na	0.772

	x	y	z	Total
	0.000	0.000	8.513	8.513
CHELPG
AIM
ESP

<r²>	177.759
(<r²>)^1/2	13.333

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

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