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	hartrees
Energy at 0K	-586.075905
Energy at 298.15K	-586.078833
HF Energy	-586.075905
Nuclear repulsion energy	260.257657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1316	1304	529.29
2	A₁	995	986	99.45
3	A₁	696	690	1.15
4	A₁	355	352	45.84
5	A₁	214	212	22.55
6	A₂	114	112	0.00
7	B₁	835	827	9.63
8	B₁	115	114	51.01
9	B₂	1568	1553	696.43
10	B₂	731	724	6.00
11	B₂	388	384	0.46
12	B₂	381	377	103.56

Atom	y (Å)	z (Å)
C1	0.000	-0.552
O2	0.000	0.794
O3	1.121	-1.151
O4	-1.121	-1.151
Na5	2.129	0.699
Na6	-2.129	0.699

	C1	O2	O3	O4	Na5	Na6
C1		1.3466	1.2708	1.2708	2.4696	2.4696
O2	1.3466		2.2448	2.2448	2.1314	2.1314
O3	1.2708	2.2448		2.2424	2.1061	3.7397
O4	1.2708	2.2448	2.2424		3.7397	2.1061
Na5	2.4696	2.1314	2.1061	3.7397		4.2585
Na6	2.4696	2.1314	3.7397	2.1061	4.2585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.430	C1	O2	Na6	87.430
C1	O3	Na5	90.516	C1	O4	Na6	90.516
O2	C1	O3	118.080	O2	C1	O4	118.080
O2	Na5	O3	63.974	O2	Na6	O4	63.974
O3	C1	O4	123.840	Na5	O2	Na6	174.860

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

using model chemistry: LSDA/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	1.022
2	O	-0.730
3	O	-0.666
4	O	-0.666
5	Na	0.520
6	Na	0.520

	x	y	z	Total
	0.000	0.000	8.097	8.097
CHELPG
AIM
ESP

<r²>	174.189
(<r²>)^1/2	13.198

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

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

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