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	hartrees
Energy at 0K	-588.484788
Energy at 298.15K	-588.487718
HF Energy	-588.484788
Nuclear repulsion energy	258.757743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1372	1310	603.34
2	A₁	1034	987	104.48
3	A₁	721	689	0.39
4	A₁	350	334	49.48
5	A₁	211	201	23.35
6	A₂	114	109	0.00
7	B₁	884	845	24.69
8	B₁	104	99	53.89
9	B₂	1624	1551	824.92
10	B₂	754	720	9.77
11	B₂	381	364	11.41
12	B₂	374	357	104.89

Atom	y (Å)	z (Å)
C1	0.000	-0.558
O2	0.000	0.788
O3	1.121	-1.153
O4	-1.121	-1.153
Na5	2.155	0.704
Na6	-2.155	0.704

	C1	O2	O3	O4	Na5	Na6
C1		1.3459	1.2694	1.2694	2.4975	2.4975
O2	1.3459		2.2417	2.2417	2.1570	2.1570
O3	1.2694	2.2417		2.2423	2.1256	3.7662
O4	1.2694	2.2417	2.2423		3.7662	2.1256
Na5	2.4975	2.1570	2.1256	3.7662		4.3108
Na6	2.4975	2.1570	3.7662	2.1256	4.3108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.763	C1	O2	Na6	87.763
C1	O3	Na5	91.150	C1	O4	Na6	91.150
O2	C1	O3	117.966	O2	C1	O4	117.966
O2	Na5	O3	63.121	O2	Na6	O4	63.121
O3	C1	O4	124.068	Na5	O2	Na6	175.527

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

using model chemistry: M06-2X/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	0.751
2	O	-0.662
3	O	-0.509
4	O	-0.509
5	Na	0.464
6	Na	0.464

	x	y	z	Total
	0.000	0.000	8.446	8.446
CHELPG
AIM
ESP

<r²>	176.154
(<r²>)^1/2	13.272

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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