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	hartrees
Energy at 0K	-578.217963
Energy at 298.15K	-578.221277
HF Energy	-578.217963
Nuclear repulsion energy	267.857883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1368	1225	173.36
2	A₁	961	861	21.91
3	A₁	779	698	13.41
4	A₁	483	433	21.69
5	A₁	376	337	12.45
6	A₂	154	138	0.00
7	B₁	684	612	15.72
8	B₁	120	108	42.46
9	B₂	1673	1498	298.86
10	B₂	917	822	54.43
11	B₂	645	578	1.69
12	B₂	503	450	66.46

Atom	y (Å)	z (Å)
C1	0.000	-0.548
O2	0.000	0.871
O3	1.190	-1.142
O4	-1.190	-1.142
Na5	1.934	0.663
Na6	-1.934	0.663

	C1	O2	O3	O4	Na5	Na6
C1		1.4188	1.3303	1.3303	2.2817	2.2817
O2	1.4188		2.3385	2.3385	1.9450	1.9450
O3	1.3303	2.3385		2.3805	1.9521	3.6081
O4	1.3303	2.3385	2.3805		3.6081	1.9521
Na5	2.2817	1.9450	1.9521	3.6081		3.8678
Na6	2.2817	1.9450	3.6081	1.9521	3.8678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	83.863	C1	O2	Na6	83.863
C1	O3	Na5	85.866	C1	O4	Na6	85.866
O2	C1	O3	116.526	O2	C1	O4	116.526
O2	Na5	O3	73.745	O2	Na6	O4	73.745
O3	C1	O4	126.948	Na5	O2	Na6	167.726

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

using model chemistry: LSDA/STO-3G

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	0.075
2	O	-0.412
3	O	-0.359
4	O	-0.359
5	Na	0.528
6	Na	0.528

	x	y	z	Total
	0.000	0.000	6.473	6.473
CHELPG
AIM
ESP

<r²>	157.177
(<r²>)^1/2	12.537

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

using model chemistry: LSDA/STO-3G

States and conformations

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