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	hartrees
Energy at 0K	-52.976007
Energy at 298.15K	-52.978923
HF Energy	-52.976007
Nuclear repulsion energy	63.439430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1387	1266	717.19
2	A₁	1023	933	61.94
3	A₁	705	643	2.67
4	A₁	341	312	55.53
5	A₁	190	173	29.06
6	A₂	131	119	0.00
7	B₁	870	794	82.77
8	B₁	134	123	65.45
9	B₂	1628	1486	872.89
10	B₂	744	679	13.60
11	B₂	368	336	110.99
12	B₂	344	314	0.68

Atom	y (Å)	z (Å)
C1	0.000	-0.588
O2	0.000	0.781
O3	1.152	-1.165
O4	-1.152	-1.165
Na5	2.167	0.724
Na6	-2.167	0.724

	C1	O2	O3	O4	Na5	Na6
C1		1.3688	1.2891	1.2891	2.5329	2.5329
O2	1.3688		2.2620	2.2620	2.1676	2.1676
O3	1.2891	2.2620		2.3048	2.1444	3.8193
O4	1.2891	2.2620	2.3048		3.8193	2.1444
Na5	2.5329	2.1676	2.1444	3.8193		4.3337
Na6	2.5329	2.1676	3.8193	2.1444	4.3337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.489	C1	O2	Na6	88.489
C1	O3	Na5	91.609	C1	O4	Na6	91.609
O2	C1	O3	116.625	O2	C1	O4	116.625
O2	Na5	O3	63.277	O2	Na6	O4	63.277
O3	C1	O4	126.750	Na5	O2	Na6	176.977

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

using model chemistry: HF/CEP-121G

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	0.429
2	O	-0.942
3	O	-0.657
4	O	-0.657
5	Na	0.913
6	Na	0.913

	x	y	z	Total
	0.000	0.000	9.694	9.694
CHELPG
AIM
ESP

<r²>	59.068
(<r²>)^1/2	7.686

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

using model chemistry: HF/CEP-121G

States and conformations

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