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	hartrees
Energy at 0K	-588.346296
Energy at 298.15K	-588.349203
HF Energy	-588.346296
Nuclear repulsion energy	258.736666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1384	1318	631.53
2	A₁	1039	989	105.94
3	A₁	712	678	1.05
4	A₁	351	334	54.21
5	A₁	211	200	24.04
6	A₂	116	111	0.00
7	B₁	869	828	26.89
8	B₁	105	100	55.77
9	B₂	1642	1563	852.34
10	B₂	750	714	10.88
11	B₂	378	360	101.31
12	B₂	373	356	12.76

Atom	y (Å)	z (Å)
C1	0.000	-0.560
O2	0.000	0.790
O3	1.127	-1.154
O4	-1.127	-1.154
Na5	2.148	0.705
Na6	-2.148	0.705

	C1	O2	O3	O4	Na5	Na6
C1		1.3504	1.2742	1.2742	2.4928	2.4928
O2	1.3504		2.2475	2.2475	2.1498	2.1498
O3	1.2742	2.2475		2.2545	2.1206	3.7660
O4	1.2742	2.2475	2.2545		3.7660	2.1206
Na5	2.4928	2.1498	2.1206	3.7660		4.2963
Na6	2.4928	2.1498	3.7660	2.1206	4.2963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.714	C1	O2	Na6	87.714
C1	O3	Na5	90.991	C1	O4	Na6	90.991
O2	C1	O3	117.787	O2	C1	O4	117.787
O2	Na5	O3	63.507	O2	Na6	O4	63.507
O3	C1	O4	124.425	Na5	O2	Na6	175.428

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

using model chemistry: M06-2X/6-31+G**

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	0.808
2	O	-0.991
3	O	-0.719
4	O	-0.719
5	Na	0.811
6	Na	0.811

	x	y	z	Total
	0.000	0.000	8.626	8.626
CHELPG
AIM
ESP

<r²>	176.028
(<r²>)^1/2	13.268

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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