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	hartrees
Energy at 0K	-580.400076
Energy at 298.15K	-580.403420
HF Energy	-580.400076
Nuclear repulsion energy	267.284954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1428	1260	219.51
2	A₁	1000	882	20.90
3	A₁	785	692	15.26
4	A₁	487	429	26.30
5	A₁	368	325	14.19
6	A₂	152	134	0.00
7	B₁	711	627	25.00
8	B₁	128	113	46.53
9	B₂	1716	1513	354.14
10	B₂	919	810	61.57
11	B₂	636	561	1.50
12	B₂	505	445	78.16

Atom	y (Å)	z (Å)
C1	0.000	-0.549
O2	0.000	0.858
O3	1.185	-1.140
O4	-1.185	-1.140
Na5	1.952	0.667
Na6	-1.952	0.667

	C1	O2	O3	O4	Na5	Na6
C1		1.4067	1.3246	1.3246	2.2996	2.2996
O2	1.4067		2.3232	2.3232	1.9612	1.9612
O3	1.3246	2.3232		2.3706	1.9631	3.6205
O4	1.3246	2.3232	2.3706		3.6205	1.9631
Na5	2.2996	1.9612	1.9631	3.6205		3.9037
Na6	2.2996	1.9612	3.6205	1.9631	3.9037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	84.415	C1	O2	Na6	84.415
C1	O3	Na5	86.470	C1	O4	Na6	86.470
O2	C1	O3	116.514	O2	C1	O4	116.514
O2	Na5	O3	72.601	O2	Na6	O4	72.601
O3	C1	O4	126.971	Na5	O2	Na6	168.830

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

using model chemistry: PBE1PBE/STO-3G

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	0.123
2	O	-0.473
3	O	-0.409
4	O	-0.409
5	Na	0.585
6	Na	0.585

	x	y	z	Total
	0.000	0.000	6.957	6.957
CHELPG
AIM
ESP

<r²>	158.044
(<r²>)^1/2	12.572

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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