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	hartrees
Energy at 0K	-588.477996
Energy at 298.15K	-588.480922
HF Energy	-588.477996
Nuclear repulsion energy	258.250407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1350	1292	565.47
2	A₁	1017	973	100.60
3	A₁	713	683	0.90
4	A₁	354	339	45.42
5	A₁	207	198	22.65
6	A₂	115	110	0.00
7	B₁	865	828	23.64
8	B₁	112	107	54.11
9	B₂	1615	1545	771.59
10	B₂	749	717	7.27
11	B₂	381	365	92.90
12	B₂	375	359	21.49

Atom	y (Å)	z (Å)
C1	0.000	-0.565
O2	0.000	0.784
O3	1.122	-1.158
O4	-1.122	-1.158
Na5	2.157	0.711
Na6	-2.157	0.711

	C1	O2	O3	O4	Na5	Na6
C1		1.3493	1.2693	1.2693	2.5063	2.5063
O2	1.3493		2.2435	2.2435	2.1581	2.1581
O3	1.2693	2.2435		2.2441	2.1372	3.7747
O4	1.2693	2.2435	2.2441		3.7747	2.1372
Na5	2.5063	2.1581	2.1372	3.7747		4.3138
Na6	2.5063	2.1581	3.7747	2.1372	4.3138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.067	C1	O2	Na6	88.067
C1	O3	Na5	91.087	C1	O4	Na6	91.087
O2	C1	O3	117.873	O2	C1	O4	117.873
O2	Na5	O3	62.973	O2	Na6	O4	62.973
O3	C1	O4	124.254	Na5	O2	Na6	176.135

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

using model chemistry: mPW1PW91/6-311G**

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	0.563
2	O	-0.714
3	O	-0.568
4	O	-0.568
5	Na	0.643
6	Na	0.643

	x	y	z	Total
	0.000	0.000	8.297	8.297
CHELPG
AIM
ESP

<r²>	176.762
(<r²>)^1/2	13.295

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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