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	hartrees
Energy at 0K	-588.215978
Energy at 298.15K	-588.218777
HF Energy	-588.215978
Nuclear repulsion energy	255.067065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1269	1215	504.52
2	A₁	944	904	96.75
3	A₁	671	642	0.32
4	A₁	348	333	42.23
5	A₁	201	193	22.54
6	A₂	115	110	0.00
7	B₁	787	754	29.83
8	B₁	118	113	60.58
9	B₂	1572	1506	648.73
10	B₂	711	681	8.29
11	B₂	379	363	99.91
12	B₂	354	339	10.52

Atom	y (Å)	z (Å)
C1	0.000	-0.586
O2	0.000	0.803
O3	1.153	-1.178
O4	-1.153	-1.178
Na5	2.157	0.725
Na6	-2.157	0.725

	C1	O2	O3	O4	Na5	Na6
C1		1.3882	1.2969	1.2969	2.5235	2.5235
O2	1.3882		2.2923	2.2923	2.1579	2.1579
O3	1.2969	2.2923		2.3070	2.1514	3.8182
O4	1.2969	2.2923	2.3070		3.8182	2.1514
Na5	2.5235	2.1579	2.1514	3.8182		4.3130
Na6	2.5235	2.1579	3.8182	2.1514	4.3130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.937	C1	O2	Na6	87.937
C1	O3	Na5	90.589	C1	O4	Na6	90.589
O2	C1	O3	117.200	O2	C1	O4	117.200
O2	Na5	O3	64.274	O2	Na6	O4	64.274
O3	C1	O4	125.599	Na5	O2	Na6	175.874

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

using model chemistry: B3PW91/6-31G

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	0.635
2	O	-0.789
3	O	-0.639
4	O	-0.639
5	Na	0.717
6	Na	0.717

	x	y	z	Total
	0.000	0.000	8.657	8.657
CHELPG
AIM
ESP

<r²>	179.761
(<r²>)^1/2	13.408

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

using model chemistry: B3PW91/6-31G

States and conformations

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