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	hartrees
Energy at 0K	-588.237073
Energy at 298.15K	-588.239896
HF Energy	-588.237073
Nuclear repulsion energy	256.774439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1325	1325	542.60
2	A₁	983	983	91.12
3	A₁	688	688	0.80
4	A₁	354	354	47.88
5	A₁	202	202	22.80
6	A₂	118	118	0.00
7	B₁	809	809	45.63
8	B₁	99	99	61.95
9	B₂	1621	1621	736.02
10	B₂	726	726	12.34
11	B₂	382	382	107.71
12	B₂	359	359	4.75

Atom	y (Å)	z (Å)
C1	0.000	-0.581
O2	0.000	0.800
O3	1.150	-1.168
O4	-1.150	-1.168
Na5	2.141	0.717
Na6	-2.141	0.717

	C1	O2	O3	O4	Na5	Na6
C1		1.3808	1.2917	1.2917	2.5035	2.5035
O2	1.3808		2.2798	2.2798	2.1421	2.1421
O3	1.2917	2.2798		2.3006	2.1301	3.7929
O4	1.2917	2.2798	2.3006		3.7929	2.1301
Na5	2.5035	2.1421	2.1301	3.7929		4.2810
Na6	2.5035	2.1421	3.7929	2.1301	4.2810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.795	C1	O2	Na6	87.795
C1	O3	Na5	90.645	C1	O4	Na6	90.645
O2	C1	O3	117.058	O2	C1	O4	117.058
O2	Na5	O3	64.502	O2	Na6	O4	64.502
O3	C1	O4	125.884	Na5	O2	Na6	175.591

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

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

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	0.670
2	O	-0.822
3	O	-0.662
4	O	-0.662
5	Na	0.739
6	Na	0.739

	x	y	z	Total
	0.000	0.000	8.753	8.753
CHELPG
AIM
ESP

<r²>	177.495
(<r²>)^1/2	13.323

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

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

States and conformations

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