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	hartrees
Energy at 0K	-587.954351
Energy at 298.15K	-587.957177
HF Energy	-587.954351
Nuclear repulsion energy	255.722125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1284	1229	509.88
2	A₁	956	914	95.12
3	A₁	676	647	0.58
4	A₁	351	336	41.46
5	A₁	203	194	22.66
6	A₂	116	111	0.00
7	B₁	794	760	31.62
8	B₁	118	112	59.88
9	B₂	1587	1518	657.68
10	B₂	718	687	8.18
11	B₂	383	366	99.58
12	B₂	357	342	9.96

Atom	y (Å)	z (Å)
C1	0.000	-0.584
O2	0.000	0.800
O3	1.151	-1.176
O4	-1.151	-1.176
Na5	2.151	0.723
Na6	-2.151	0.723

	C1	O2	O3	O4	Na5	Na6
C1		1.3841	1.2942	1.2942	2.5165	2.5165
O2	1.3841		2.2867	2.2867	2.1519	2.1519
O3	1.2942	2.2867		2.3020	2.1456	3.8085
O4	1.2942	2.2867	2.3020		3.8085	2.1456
Na5	2.5165	2.1519	2.1456	3.8085		4.3011
Na6	2.5165	2.1519	3.8085	2.1456	4.3011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.943	C1	O2	Na6	87.943
C1	O3	Na5	90.557	C1	O4	Na6	90.557
O2	C1	O3	117.208	O2	C1	O4	117.208
O2	Na5	O3	64.292	O2	Na6	O4	64.292
O3	C1	O4	125.584	Na5	O2	Na6	175.885

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

using model chemistry: HSEh1PBE/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	0.650
2	O	-0.791
3	O	-0.642
4	O	-0.642
5	Na	0.712
6	Na	0.712

	x	y	z	Total
	0.000	0.000	8.604	8.604
CHELPG
AIM
ESP

<r²>	179.004
(<r²>)^1/2	13.379

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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