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	hartrees
Energy at 0K	-586.419436
Energy at 298.15K	-586.422473
HF Energy	-586.419436
Nuclear repulsion energy	259.770061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1483	1350	717.87
2	A₁	1123	1022	73.40
3	A₁	775	706	1.79
4	A₁	359	327	59.07
5	A₁	203	185	28.96
6	A₂	116	105	0.00
7	B₁	978	890	44.40
8	B₁	116	105	54.01
9	B₂	1699	1547	934.83
10	B₂	804	732	10.74
11	B₂	387	353	76.03
12	B₂	375	341	45.50

Atom	y (Å)	z (Å)
C1	0.000	-0.554
O2	0.000	0.765
O3	1.107	-1.142
O4	-1.107	-1.142
Na5	2.171	0.703
Na6	-2.171	0.703

	C1	O2	O3	O4	Na5	Na6
C1		1.3194	1.2533	1.2533	2.5090	2.5090
O2	1.3194		2.2047	2.2047	2.1718	2.1718
O3	1.2533	2.2047		2.2146	2.1295	3.7617
O4	1.2533	2.2047	2.2146		3.7617	2.1295
Na5	2.5090	2.1718	2.1295	3.7617		4.3418
Na6	2.5090	2.1718	3.7617	2.1295	4.3418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.376	C1	O2	Na6	88.376
C1	O3	Na5	92.034	C1	O4	Na6	92.034
O2	C1	O3	117.930	O2	C1	O4	117.930
O2	Na5	O3	61.660	O2	Na6	O4	61.660
O3	C1	O4	124.140	Na5	O2	Na6	176.751

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

using model chemistry: HF/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	0.900
2	O	-1.032
3	O	-0.768
4	O	-0.768
5	Na	0.834
6	Na	0.834

	x	y	z	Total
	0.000	0.000	8.975	8.975
CHELPG
AIM
ESP

<r²>	175.901
(<r²>)^1/2	13.263

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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