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	hartrees
Energy at 0K	-588.066865
Energy at 298.15K	-588.069661
HF Energy	-588.066865
Nuclear repulsion energy	255.760807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1247	1236	458.45
2	A₁	939	931	113.65
3	A₁	674	668	0.53
4	A₁	342	339	36.03
5	A₁	203	201	19.66
6	A₂	113	112	0.00
7	B₁	804	797	10.11
8	B₁	107	106	50.91
9	B₂	1517	1503	684.12
10	B₂	710	704	2.60
11	B₂	373	369	72.59
12	B₂	363	359	33.56

Atom	y (Å)	z (Å)
C1	0.000	-0.571
O2	0.000	0.801
O3	1.134	-1.174
O4	-1.134	-1.174
Na5	2.169	0.718
Na6	-2.169	0.718

	C1	O2	O3	O4	Na5	Na6
C1		1.3714	1.2847	1.2847	2.5228	2.5228
O2	1.3714		2.2772	2.2772	2.1703	2.1703
O3	1.2847	2.2772		2.2686	2.1563	3.8065
O4	1.2847	2.2772	2.2686		3.8065	2.1563
Na5	2.5228	2.1703	2.1563	3.8065		4.3375
Na6	2.5228	2.1703	3.8065	2.1563	4.3375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.820	C1	O2	Na6	87.820
C1	O3	Na5	90.667	C1	O4	Na6	90.667
O2	C1	O3	118.001	O2	C1	O4	118.001
O2	Na5	O3	63.512	O2	Na6	O4	63.512
O3	C1	O4	123.998	Na5	O2	Na6	175.639

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

using model chemistry: PBEPBE/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	0.476
2	O	-0.633
3	O	-0.498
4	O	-0.498
5	Na	0.577
6	Na	0.577

	x	y	z	Total
	0.000	0.000	7.814	7.814
CHELPG
AIM
ESP

<r²>	179.970
(<r²>)^1/2	13.415

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

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

States and conformations

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