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	hartrees
Energy at 0K	-588.457986
Energy at 298.15K	-588.460902
HF Energy	-588.457986
Nuclear repulsion energy	257.735259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1360	1307	613.21
2	A₁	1018	979	102.24
3	A₁	699	672	0.73
4	A₁	344	330	40.64
5	A₁	218	209	21.08
6	A₂	118	113	0.00
7	B₁	856	822	20.49
8	B₁	117	112	54.34
9	B₂	1630	1567	815.98
10	B₂	739	711	6.72
11	B₂	388	373	55.33
12	B₂	356	342	59.39

Atom	y (Å)	z (Å)
C1	0.000	-0.563
O2	0.000	0.790
O3	1.125	-1.158
O4	-1.125	-1.158
Na5	2.164	0.708
Na6	-2.164	0.708

	C1	O2	O3	O4	Na5	Na6
C1		1.3526	1.2724	1.2724	2.5098	2.5098
O2	1.3526		2.2491	2.2491	2.1658	2.1658
O3	1.2724	2.2491		2.2492	2.1362	3.7814
O4	1.2724	2.2491	2.2492		3.7814	2.1362
Na5	2.5098	2.1658	2.1362	3.7814		4.3285
Na6	2.5098	2.1658	3.7814	2.1362	4.3285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.839	C1	O2	Na6	87.839
C1	O3	Na5	91.232	C1	O4	Na6	91.232
O2	C1	O3	117.891	O2	C1	O4	117.891
O2	Na5	O3	63.039	O2	Na6	O4	63.039
O3	C1	O4	124.219	Na5	O2	Na6	175.677

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

using model chemistry: B1B95/cc-pVDZ

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	0.364
2	O	-0.557
3	O	-0.439
4	O	-0.439
5	Na	0.536
6	Na	0.536

	x	y	z	Total
	0.000	0.000	8.182	8.182
CHELPG
AIM
ESP

<r²>	177.406
(<r²>)^1/2	13.319

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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