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	hartrees
Energy at 0K	-587.976104
Energy at 298.15K	-587.978859
HF Energy	-587.976104
Nuclear repulsion energy	256.275928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1270	1249	444.40
2	A₁	949	933	97.71
3	A₁	670	659	1.29
4	A₁	342	337	32.22
5	A₁	206	203	18.90
6	A₂	112	110	0.00
7	B₁	797	783	9.97
8	B₁	98	96	48.64
9	B₂	1539	1514	677.14
10	B₂	709	698	2.42
11	B₂	377	371	57.36
12	B₂	364	358	48.41

Atom	y (Å)	z (Å)
C1	0.000	-0.565
O2	0.000	0.808
O3	1.137	-1.174
O4	-1.137	-1.174
Na5	2.156	0.714
Na6	-2.156	0.714

	C1	O2	O3	O4	Na5	Na6
C1		1.3727	1.2896	1.2896	2.5066	2.5066
O2	1.3727		2.2844	2.2844	2.1578	2.1578
O3	1.2896	2.2844		2.2739	2.1451	3.7955
O4	1.2896	2.2844	2.2739		3.7955	2.1451
Na5	2.5066	2.1578	2.1451	3.7955		4.3116
Na6	2.5066	2.1578	3.7955	2.1451	4.3116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.511	C1	O2	Na6	87.511
C1	O3	Na5	90.194	C1	O4	Na6	90.194
O2	C1	O3	118.164	O2	C1	O4	118.164
O2	Na5	O3	64.132	O2	Na6	O4	64.132
O3	C1	O4	123.672	Na5	O2	Na6	175.022

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

using model chemistry: PBEPBEultrafine/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	0.763
2	O	-0.659
3	O	-0.588
4	O	-0.588
5	Na	0.536
6	Na	0.536

	x	y	z	Total
	0.000	0.000	7.651	7.651
CHELPG
AIM
ESP

<r²>	178.783
(<r²>)^1/2	13.371

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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