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	hartrees
Energy at 0K	-584.967237
Energy at 298.15K	-584.970165
HF Energy	-584.967237
Nuclear repulsion energy	260.236430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1254	1191	433.75
2	A₁	928	881	121.80
3	A₁	684	650	0.79
4	A₁	370	351	39.23
5	A₁	232	221	17.02
6	A₂	123	117	0.00
7	B₁	812	771	30.83
8	B₁	108	103	54.02
9	B₂	1590	1510	666.00
10	B₂	720	683	15.95
11	B₂	400	380	35.59
12	B₂	383	364	73.05

Atom	y (Å)	z (Å)
C1	0.000	-0.571
O2	0.000	0.828
O3	1.147	-1.160
O4	-1.147	-1.160
Na5	2.083	0.698
Na6	-2.083	0.698

	C1	O2	O3	O4	Na5	Na6
C1		1.3985	1.2897	1.2897	2.4389	2.4389
O2	1.3985		2.2949	2.2949	2.0866	2.0866
O3	1.2897	2.2949		2.2948	2.0803	3.7264
O4	1.2897	2.2949	2.2948		3.7264	2.0803
Na5	2.4389	2.0866	2.0803	3.7264		4.1652
Na6	2.4389	2.0866	3.7264	2.0803	4.1652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	86.449	C1	O2	Na6	86.449
C1	O3	Na5	89.542	C1	O4	Na6	89.542
O2	C1	O3	117.173	O2	C1	O4	117.173
O2	Na5	O3	66.837	O2	Na6	O4	66.837
O3	C1	O4	125.654	Na5	O2	Na6	172.897

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

using model chemistry: mPW1PW91/3-21G*

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	0.769
2	O	-0.614
3	O	-0.595
4	O	-0.595
5	Na	0.518
6	Na	0.518

	x	y	z	Total
	0.000	0.000	7.532	7.532
CHELPG
AIM
ESP

<r²>	172.142
(<r²>)^1/2	13.120

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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