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	hartrees
Energy at 0K	-588.501019
Energy at 298.15K	-588.503887
HF Energy	-588.501019
Nuclear repulsion energy	258.052834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1326	1270	514.44
2	A₁	992	950	101.49
3	A₁	699	670	1.01
4	A₁	355	340	39.04
5	A₁	212	203	20.62
6	A₂	116	111	0.00
7	B₁	838	803	21.31
8	B₁	102	98	49.93
9	B₂	1596	1529	727.36
10	B₂	739	708	4.94
11	B₂	387	371	68.52
12	B₂	376	360	43.95

Atom	y (Å)	z (Å)
C1	0.000	-0.563
O2	0.000	0.798
O3	1.130	-1.163
O4	-1.130	-1.163
Na5	2.145	0.709
Na6	-2.145	0.709

	C1	O2	O3	O4	Na5	Na6
C1		1.3609	1.2794	1.2794	2.4934	2.4934
O2	1.3609		2.2632	2.2632	2.1463	2.1463
O3	1.2794	2.2632		2.2601	2.1292	3.7719
O4	1.2794	2.2632	2.2601		3.7719	2.1292
Na5	2.4934	2.1463	2.1292	3.7719		4.2890
Na6	2.4934	2.1463	3.7719	2.1292	4.2890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.627	C1	O2	Na6	87.627
C1	O3	Na5	90.489	C1	O4	Na6	90.489
O2	C1	O3	117.964	O2	C1	O4	117.964
O2	Na5	O3	63.920	O2	Na6	O4	63.920
O3	C1	O4	124.071	Na5	O2	Na6	175.253

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

using model chemistry: B3LYPultrafine/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	0.844
2	O	-0.711
3	O	-0.635
4	O	-0.635
5	Na	0.569
6	Na	0.569

	x	y	z	Total
	0.000	0.000	7.943	7.943
CHELPG
AIM
ESP

<r²>	176.454
(<r²>)^1/2	13.284

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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