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	hartrees
Energy at 0K	-588.478621
Energy at 298.15K	-588.481524
HF Energy	-588.478621
Nuclear repulsion energy	257.331754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1354	1297	609.22
2	A₁	1021	978	82.93
3	A₁	702	672	0.79
4	A₁	344	329	51.56
5	A₁	221	211	25.85
6	A₂	110	105	0.00
7	B₁	858	822	15.36
8	B₁	105	100	54.21
9	B₂	1591	1524	761.08
10	B₂	739	708	8.16
11	B₂	389	372	54.02
12	B₂	362	347	62.45

Atom	y (Å)	z (Å)
C1	0.000	-0.556
O2	0.000	0.790
O3	1.125	-1.156
O4	-1.125	-1.156
Na5	2.176	0.705
Na6	-2.176	0.705

	C1	O2	O3	O4	Na5	Na6
C1		1.3463	1.2749	1.2749	2.5146	2.5146
O2	1.3463		2.2479	2.2479	2.1774	2.1774
O3	1.2749	2.2479		2.2499	2.1368	3.7890
O4	1.2749	2.2479	2.2499		3.7890	2.1368
Na5	2.5146	2.1774	2.1368	3.7890		4.3515
Na6	2.5146	2.1774	3.7890	2.1368	4.3515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.747	C1	O2	Na6	87.747
C1	O3	Na5	91.391	C1	O4	Na6	91.391
O2	C1	O3	118.066	O2	C1	O4	118.066
O2	Na5	O3	62.796	O2	Na6	O4	62.796
O3	C1	O4	123.868	Na5	O2	Na6	175.495

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

using model chemistry: B1B95/aug-cc-pVDZ

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	0.896
2	O	-0.993
3	O	-0.714
4	O	-0.714
5	Na	0.762
6	Na	0.762

	x	y	z	Total
	0.000	0.000	8.563	8.563
CHELPG
AIM
ESP

<r²>	178.363
(<r²>)^1/2	13.355

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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