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	hartrees
Energy at 0K	-585.920512
Energy at 298.15K	-585.923423
HF Energy	-585.920512
Nuclear repulsion energy	260.635448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1342	1317	478.06
2	A₁	998	980	86.53
3	A₁	691	678	2.85
4	A₁	359	352	34.51
5	A₁	222	218	19.31
6	A₂	116	114	0.00
7	B₁	819	803	12.99
8	B₁	104	102	49.09
9	B₂	1619	1589	669.97
10	B₂	734	721	4.96
11	B₂	398	391	34.63
12	B₂	382	375	70.26

Atom	y (Å)	z (Å)
C1	0.000	-0.554
O2	0.000	0.800
O3	1.126	-1.155
O4	-1.126	-1.155
Na5	2.111	0.700
Na6	-2.111	0.700

	C1	O2	O3	O4	Na5	Na6
C1		1.3540	1.2760	1.2760	2.4557	2.4557
O2	1.3540		2.2554	2.2554	2.1133	2.1133
O3	1.2760	2.2554		2.2520	2.1002	3.7308
O4	1.2760	2.2554	2.2520		3.7308	2.1002
Na5	2.4557	2.1133	2.1002	3.7308		4.2220
Na6	2.4557	2.1133	3.7308	2.1002	4.2220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.305	C1	O2	Na6	87.305
C1	O3	Na5	89.910	C1	O4	Na6	89.910
O2	C1	O3	118.060	O2	C1	O4	118.060
O2	Na5	O3	64.725	O2	Na6	O4	64.725
O3	C1	O4	123.881	Na5	O2	Na6	174.610

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

using model chemistry: LSDA/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	0.699
2	O	-0.634
3	O	-0.560
4	O	-0.560
5	Na	0.528
6	Na	0.528

	x	y	z	Total
	0.000	0.000	7.644	7.644
CHELPG
AIM
ESP

<r²>	172.909
(<r²>)^1/2	13.150

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

using model chemistry: LSDA/6-31G**

States and conformations

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