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	hartrees
Energy at 0K	-588.353194
Energy at 298.15K	-588.356092
HF Energy	-588.353194
Nuclear repulsion energy	257.353299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1334	1288	590.66
2	A₁	996	962	109.16
3	A₁	696	672	0.49
4	A₁	347	335	39.55
5	A₁	207	200	21.66
6	A₂	120	116	0.00
7	B₁	847	817	18.70
8	B₁	119	115	54.37
9	B₂	1609	1553	791.32
10	B₂	733	708	6.05
11	B₂	377	363	87.75
12	B₂	365	352	26.08

Atom	y (Å)	z (Å)
C1	0.000	-0.567
O2	0.000	0.793
O3	1.129	-1.163
O4	-1.129	-1.163
Na5	2.160	0.712
Na6	-2.160	0.712

	C1	O2	O3	O4	Na5	Na6
C1		1.3598	1.2767	1.2767	2.5098	2.5098
O2	1.3598		2.2584	2.2584	2.1611	2.1611
O3	1.2767	2.2584		2.2579	2.1394	3.7854
O4	1.2767	2.2584	2.2579		3.7854	2.1394
Na5	2.5098	2.1611	2.1394	3.7854		4.3192
Na6	2.5098	2.1611	3.7854	2.1394	4.3192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.849	C1	O2	Na6	87.849
C1	O3	Na5	90.962	C1	O4	Na6	90.962
O2	C1	O3	117.837	O2	C1	O4	117.837
O2	Na5	O3	63.352	O2	Na6	O4	63.352
O3	C1	O4	124.327	Na5	O2	Na6	175.699

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

using model chemistry: B3PW91/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	0.362
2	O	-0.559
3	O	-0.438
4	O	-0.438
5	Na	0.537
6	Na	0.537

	x	y	z	Total
	0.000	0.000	8.184	8.184
CHELPG
AIM
ESP

<r²>	177.584
(<r²>)^1/2	13.326

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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