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	hartrees
Energy at 0K	-588.044916
Energy at 298.15K	-588.047857
HF Energy	-588.044916
Nuclear repulsion energy	258.141491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1356	1304	599.64
2	A₁	1013	974	103.98
3	A₁	703	676	0.87
4	A₁	352	339	39.37
5	A₁	211	203	21.67
6	A₂	121	116	0.00
7	B₁	857	824	20.03
8	B₁	120	115	53.93
9	B₂	1629	1566	804.51
10	B₂	742	714	6.61
11	B₂	383	368	80.70
12	B₂	371	357	32.27

Atom	y (Å)	z (Å)
C1	0.000	-0.564
O2	0.000	0.791
O3	1.126	-1.159
O4	-1.126	-1.159
Na5	2.152	0.709
Na6	-2.152	0.709

	C1	O2	O3	O4	Na5	Na6
C1		1.3551	1.2740	1.2740	2.5008	2.5008
O2	1.3551		2.2523	2.2523	2.1538	2.1538
O3	1.2740	2.2523		2.2526	2.1319	3.7738
O4	1.2740	2.2523	2.2526		3.7738	2.1319
Na5	2.5008	2.1538	2.1319	3.7738		4.3046
Na6	2.5008	2.1538	3.7738	2.1319	4.3046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.827	C1	O2	Na6	87.827
C1	O3	Na5	90.906	C1	O4	Na6	90.906
O2	C1	O3	117.861	O2	C1	O4	117.861
O2	Na5	O3	63.406	O2	Na6	O4	63.406
O3	C1	O4	124.277	Na5	O2	Na6	175.653

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

using model chemistry: PBE1PBE/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	0.376
2	O	-0.566
3	O	-0.444
4	O	-0.444
5	Na	0.539
6	Na	0.539

	x	y	z	Total
	0.000	0.000	8.154	8.154
CHELPG
AIM
ESP

<r²>	176.628
(<r²>)^1/2	13.290

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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