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	hartrees
Energy at 0K	-588.512297
Energy at 298.15K	-588.515151
HF Energy	-588.512297
Nuclear repulsion energy	256.634348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1358	1298	618.69
2	A₁	1026	981	98.64
3	A₁	711	680	0.20
4	A₁	336	322	45.81
5	A₁	201	192	28.11
6	A₂	107	102	0.00
7	B₁	875	836	17.58
8	B₁	108	104	54.06
9	B₂	1602	1532	815.27
10	B₂	746	713	7.35
11	B₂	373	356	86.56
12	B₂	354	338	31.46

Atom	y (Å)	z (Å)
C1	0.000	-0.556
O2	0.000	0.785
O3	1.119	-1.155
O4	-1.119	-1.155
Na5	2.167	0.706
Na6	-2.167	0.706

	C1	O2	O3	O4	Na5	Na6
C1		1.3414	1.2691	1.2691	2.5082	2.5082
O2	1.3414		2.2399	2.2399	2.1689	2.1689
O3	1.2691	2.2399		2.2375	2.1366	3.7768
O4	1.2691	2.2399	2.2375		3.7768	2.1366
Na5	2.5082	2.1689	2.1366	3.7768		4.3348
Na6	2.5082	2.1689	3.7768	2.1366	4.3348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.912	C1	O2	Na6	87.912
C1	O3	Na5	91.222	C1	O4	Na6	91.222
O2	C1	O3	118.173	O2	C1	O4	118.173
O2	Na5	O3	62.693	O2	Na6	O4	62.693
O3	C1	O4	123.655	Na5	O2	Na6	175.824

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

using model chemistry: wB97X-D/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	0.636
2	O	-0.626
3	O	-0.488
4	O	-0.488
5	Na	0.483
6	Na	0.483

	x	y	z	Total
	0.000	0.000	8.599	8.599
CHELPG
AIM
ESP

<r²>	179.488
(<r²>)^1/2	13.397

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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