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	hartrees
Energy at 0K	-580.324998
Energy at 298.15K	-580.328194
HF Energy	-580.324998
Nuclear repulsion energy	264.270475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1317	1203	170.93
2	A₁	925	845	21.30
3	A₁	750	686	11.03
4	A₁	465	425	23.42
5	A₁	359	328	12.91
6	A₂	151	138	0.00
7	B₁	657	600	13.85
8	B₁	121	111	43.59
9	B₂	1605	1466	293.90
10	B₂	884	807	53.26
11	B₂	617	564	1.37
12	B₂	485	443	69.74

Atom	y (Å)	z (Å)
C1	0.000	-0.554
O2	0.000	0.882
O3	1.203	-1.157
O4	-1.203	-1.157
Na5	1.963	0.672
Na6	-1.963	0.672

	C1	O2	O3	O4	Na5	Na6
C1		1.4365	1.3456	1.3456	2.3148	2.3148
O2	1.4365		2.3674	2.3674	1.9745	1.9745
O3	1.3456	2.3674		2.4064	1.9804	3.6566
O4	1.3456	2.3674	2.4064		3.6566	1.9804
Na5	2.3148	1.9745	1.9804	3.6566		3.9266
Na6	2.3148	1.9745	3.6566	1.9804	3.9266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	83.890	C1	O2	Na6	83.890
C1	O3	Na5	85.973	C1	O4	Na6	85.973
O2	C1	O3	116.596	O2	C1	O4	116.596
O2	Na5	O3	73.540	O2	Na6	O4	73.540
O3	C1	O4	126.808	Na5	O2	Na6	167.781

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

using model chemistry: PBEPBE/STO-3G

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	0.067
2	O	-0.428
3	O	-0.369
4	O	-0.369
5	Na	0.550
6	Na	0.550

	x	y	z	Total
	0.000	0.000	6.665	6.665
CHELPG
AIM
ESP

<r²>	160.974
(<r²>)^1/2	12.688

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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