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	hartrees
Energy at 0K	-588.409515
Energy at 298.15K	-588.412377
HF Energy	-588.409515
Nuclear repulsion energy	258.459761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1381	1311	562.92
2	A₁	1031	979	84.52
3	A₁	703	668	1.61
4	A₁	343	326	44.85
5	A₁	220	209	19.36
6	A₂	111	105	0.00
7	B₁	856	812	24.14
8	B₁	102	97	51.81
9	B₂	1643	1559	752.79
10	B₂	742	705	6.11
11	B₂	389	370	40.15
12	B₂	358	340	76.49

Atom	y (Å)	z (Å)
C1	0.000	-0.558
O2	0.000	0.791
O3	1.123	-1.156
O4	-1.123	-1.156
Na5	2.154	0.705
Na6	-2.154	0.705

	C1	O2	O3	O4	Na5	Na6
C1		1.3482	1.2729	1.2729	2.4973	2.4973
O2	1.3482		2.2477	2.2477	2.1561	2.1561
O3	1.2729	2.2477		2.2468	2.1279	3.7695
O4	1.2729	2.2477	2.2468		3.7695	2.1279
Na5	2.4973	2.1561	2.1279	3.7695		4.3089
Na6	2.4973	2.1561	3.7695	2.1279	4.3089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.732	C1	O2	Na6	87.732
C1	O3	Na5	90.933	C1	O4	Na6	90.933
O2	C1	O3	118.048	O2	C1	O4	118.048
O2	Na5	O3	63.287	O2	Na6	O4	63.287
O3	C1	O4	123.904	Na5	O2	Na6	175.464

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

using model chemistry: B1B95/6-31G*

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	0.843
2	O	-0.731
3	O	-0.652
4	O	-0.652
5	Na	0.597
6	Na	0.597

	x	y	z	Total
	0.000	0.000	8.158	8.158
CHELPG
AIM
ESP

<r²>	176.218
(<r²>)^1/2	13.275

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

using model chemistry: B1B95/6-31G*

States and conformations

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