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	hartrees
Energy at 0K	-586.420348
Energy at 298.15K	-586.423368
HF Energy	-586.420348
Nuclear repulsion energy	259.881066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1484	1342	716.48
2	A₁	1124	1017	73.79
3	A₁	775	701	1.80
4	A₁	359	325	59.07
5	A₁	204	184	29.05
6	A₂	115	104	0.00
7	B₁	977	884	44.20
8	B₁	116	105	53.84
9	B₂	1702	1539	933.71
10	B₂	805	728	10.84
11	B₂	387	350	81.96
12	B₂	375	339	39.83

Atom	y (Å)	z (Å)
C1	0.000	-0.555
O2	0.000	0.764
O3	1.107	-1.142
O4	-1.107	-1.142
Na5	2.169	0.704
Na6	-2.169	0.704

	C1	O2	O3	O4	Na5	Na6
C1		1.3192	1.2529	1.2529	2.5077	2.5077
O2	1.3192		2.2040	2.2040	2.1698	2.1698
O3	1.2529	2.2040		2.2144	2.1289	3.7601
O4	1.2529	2.2040	2.2144		3.7601	2.1289
Na5	2.5077	2.1698	2.1289	3.7601		4.3379
Na6	2.5077	2.1698	3.7601	2.1289	4.3379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.403	C1	O2	Na6	88.403
C1	O3	Na5	92.003	C1	O4	Na6	92.003
O2	C1	O3	117.912	O2	C1	O4	117.912
O2	Na5	O3	61.682	O2	Na6	O4	61.682
O3	C1	O4	124.176	Na5	O2	Na6	176.806

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

using model chemistry: HF/daug-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	1.815
2	O	-0.508
3	O	-0.882
4	O	-0.882
5	Na	0.228
6	Na	0.228

	x	y	z	Total
	0.000	0.000	8.965	8.965
CHELPG
AIM
ESP

<r²>	175.734
(<r²>)^1/2	13.256

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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