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	hartrees
Energy at 0K	-588.047704
Energy at 298.15K	-588.050607
HF Energy	-588.047704
Nuclear repulsion energy	258.815260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1373	1310	548.76
2	A₁	1024	977	88.79
3	A₁	709	676	1.83
4	A₁	355	339	41.33
5	A₁	212	202	21.64
6	A₂	114	109	0.00
7	B₁	856	817	23.32
8	B₁	103	98	51.25
9	B₂	1638	1563	741.81
10	B₂	748	714	5.99
11	B₂	386	369	60.75
12	B₂	377	360	53.19

Atom	y (Å)	z (Å)
C1	0.000	-0.559
O2	0.000	0.793
O3	1.125	-1.158
O4	-1.125	-1.158
Na5	2.143	0.706
Na6	-2.143	0.706

	C1	O2	O3	O4	Na5	Na6
C1		1.3512	1.2745	1.2745	2.4888	2.4888
O2	1.3512		2.2515	2.2515	2.1451	2.1451
O3	1.2745	2.2515		2.2498	2.1241	3.7625
O4	1.2745	2.2515	2.2498		3.7625	2.1241
Na5	2.4888	2.1451	2.1241	3.7625		4.2867
Na6	2.4888	2.1451	3.7625	2.1241	4.2867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.693	C1	O2	Na6	87.693
C1	O3	Na5	90.610	C1	O4	Na6	90.610
O2	C1	O3	118.042	O2	C1	O4	118.042
O2	Na5	O3	63.656	O2	Na6	O4	63.656
O3	C1	O4	123.917	Na5	O2	Na6	175.386

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

using model chemistry: HSEh1PBE/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	0.848
2	O	-0.736
3	O	-0.653
4	O	-0.653
5	Na	0.597
6	Na	0.597

	x	y	z	Total
	0.000	0.000	8.102	8.102
CHELPG
AIM
ESP

<r²>	175.538
(<r²>)^1/2	13.249

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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