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	hartrees
Energy at 0K	-588.180262
Energy at 298.15K	-588.183157
HF Energy	-588.180262
Nuclear repulsion energy	257.868889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1343	1291	581.39
2	A₁	1016	977	100.45
3	A₁	712	684	0.38
4	A₁	347	333	44.82
5	A₁	203	195	23.83
6	A₂	113	108	0.00
7	B₁	869	835	15.72
8	B₁	111	107	52.54
9	B₂	1592	1530	768.06
10	B₂	743	714	5.74
11	B₂	372	358	98.25
12	B₂	371	356	15.57

Atom	y (Å)	z (Å)
C1	0.000	-0.559
O2	0.000	0.787
O3	1.120	-1.158
O4	-1.120	-1.158
Na5	2.167	0.708
Na6	-2.167	0.708

	C1	O2	O3	O4	Na5	Na6
C1		1.3462	1.2702	1.2702	2.5107	2.5107
O2	1.3462		2.2443	2.2443	2.1685	2.1685
O3	1.2702	2.2443		2.2409	2.1395	3.7802
O4	1.2702	2.2443	2.2409		3.7802	2.1395
Na5	2.5107	2.1685	2.1395	3.7802		4.3342
Na6	2.5107	2.1685	3.7802	2.1395	4.3342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.924	C1	O2	Na6	87.924
C1	O3	Na5	91.187	C1	O4	Na6	91.187
O2	C1	O3	118.102	O2	C1	O4	118.102
O2	Na5	O3	62.787	O2	Na6	O4	62.787
O3	C1	O4	123.796	Na5	O2	Na6	175.849

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.660
2	O	-0.625
3	O	-0.479
4	O	-0.479
5	Na	0.461
6	Na	0.461

	x	y	z	Total
	0.000	0.000	8.331	8.331
CHELPG
AIM
ESP

<r²>	177.556
(<r²>)^1/2	13.325

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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