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	hartrees
Energy at 0K	-587.429986
Energy at 298.15K	-587.432883
HF Energy	-586.358457
Nuclear repulsion energy	256.743810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1332	1261	563.60
2	A₁	995	942	120.72
3	A₁	712	674	0.33
4	A₁	356	337	46.68
5	A₁	211	199	22.66
6	A₂	110	104	0.00
7	B₁	862	816	17.67
8	B₁	104	98	56.01
9	B₂	1612	1527	797.48
10	B₂	745	706	7.60
11	B₂	387	366	65.52
12	B₂	377	357	53.02

Atom	y (Å)	z (Å)
C1	0.000	-0.569
O2	0.000	0.790
O3	1.127	-1.167
O4	-1.127	-1.167
Na5	2.169	0.716
Na6	-2.169	0.716

	C1	O2	O3	O4	Na5	Na6
C1		1.3592	1.2752	1.2752	2.5213	2.5213
O2	1.3592		2.2579	2.2579	2.1702	2.1702
O3	1.2752	2.2579		2.2531	2.1523	3.7956
O4	1.2752	2.2579	2.2531		3.7956	2.1523
Na5	2.5213	2.1702	2.1523	3.7956		4.3380
Na6	2.5213	2.1702	3.7956	2.1523	4.3380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.052	C1	O2	Na6	88.052
C1	O3	Na5	91.023	C1	O4	Na6	91.023
O2	C1	O3	117.946	O2	C1	O4	117.946
O2	Na5	O3	62.979	O2	Na6	O4	62.979
O3	C1	O4	124.108	Na5	O2	Na6	176.104

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

using model chemistry: MP2=FULL/6-311G*

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

using model chemistry: MP2=FULL/6-311G*

States and conformations

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