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	hartrees
Energy at 0K	-586.349103
Energy at 298.15K	-586.352146
HF Energy	-586.349103
Nuclear repulsion energy	259.335886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1479	1347	714.54
2	A₁	1111	1012	67.26
3	A₁	767	699	2.24
4	A₁	362	330	60.26
5	A₁	205	187	28.87
6	A₂	119	109	0.00
7	B₁	967	881	43.96
8	B₁	114	104	54.87
9	B₂	1695	1543	911.33
10	B₂	798	726	11.22
11	B₂	392	357	71.34
12	B₂	374	341	52.54

Atom	y (Å)	z (Å)
C1	0.000	-0.554
O2	0.000	0.771
O3	1.113	-1.143
O4	-1.113	-1.143
Na5	2.170	0.702
Na6	-2.170	0.702

	C1	O2	O3	O4	Na5	Na6
C1		1.3249	1.2594	1.2594	2.5076	2.5076
O2	1.3249		2.2141	2.2141	2.1715	2.1715
O3	1.2594	2.2141		2.2263	2.1264	3.7664
O4	1.2594	2.2141	2.2263		3.7664	2.1264
Na5	2.5076	2.1715	2.1264	3.7664		4.3409
Na6	2.5076	2.1715	3.7664	2.1264	4.3409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.182	C1	O2	Na6	88.182
C1	O3	Na5	91.929	C1	O4	Na6	91.929
O2	C1	O3	117.886	O2	C1	O4	117.886
O2	Na5	O3	62.004	O2	Na6	O4	62.004
O3	C1	O4	124.229	Na5	O2	Na6	176.363

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

using model chemistry: HF/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	1.289
2	O	-1.055
3	O	-0.890
4	O	-0.890
5	Na	0.773
6	Na	0.773

	x	y	z	Total
	0.000	0.000	9.006	9.006
CHELPG
AIM
ESP

<r²>	176.232
(<r²>)^1/2	13.275

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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