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	hartrees
Energy at 0K	-586.418020
Energy at 298.15K	-586.421061
HF Energy	-586.418020
Nuclear repulsion energy	260.520464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1484	1345	705.16
2	A₁	1124	1019	75.19
3	A₁	777	704	2.14
4	A₁	361	327	57.91
5	A₁	204	185	28.77
6	A₂	120	109	0.00
7	B₁	979	888	49.03
8	B₁	117	106	53.72
9	B₂	1709	1549	939.36
10	B₂	808	732	12.18
11	B₂	388	352	92.94
12	B₂	374	339	31.05

Atom	y (Å)	z (Å)
C1	0.000	-0.556
O2	0.000	0.764
O3	1.107	-1.139
O4	-1.107	-1.139
Na5	2.156	0.703
Na6	-2.156	0.703

	C1	O2	O3	O4	Na5	Na6
C1		1.3199	1.2517	1.2517	2.4963	2.4963
O2	1.3199		2.2021	2.2021	2.1567	2.1567
O3	1.2517	2.2021		2.2148	2.1195	3.7472
O4	1.2517	2.2021	2.2148		3.7472	2.1195
Na5	2.4963	2.1567	2.1195	3.7472		4.3117
Na6	2.4963	2.1567	3.7472	2.1195	4.3117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.368	C1	O2	Na6	88.368
C1	O3	Na5	91.862	C1	O4	Na6	91.862
O2	C1	O3	117.786	O2	C1	O4	117.786
O2	Na5	O3	61.983	O2	Na6	O4	61.983
O3	C1	O4	124.428	Na5	O2	Na6	176.737

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

using model chemistry: HF/Def2TZVPP

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	0.839
2	O	-0.971
3	O	-0.767
4	O	-0.767
5	Na	0.833
6	Na	0.833

	x	y	z	Total
	0.000	0.000	8.845	8.845
CHELPG
AIM
ESP

<r²>	174.838
(<r²>)^1/2	13.223

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

using model chemistry: HF/Def2TZVPP

States and conformations

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