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	hartrees
Energy at 0K	-587.090453
Energy at 298.15K	-587.093336
HF Energy	-586.357699
Nuclear repulsion energy	255.418077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1335	1268	589.82
2	A₁	995	945	108.62
3	A₁	710	675	0.88
4	A₁	362	344	52.66
5	A₁	205	195	22.56
6	A₂	109	103	0.00
7	B₁	858	816	17.68
8	B₁	103	98	55.49
9	B₂	1612	1532	757.57
10	B₂	744	707	13.54
11	B₂	385	366	134.53
12	B₂	373	354	2.90

Atom	y (Å)	z (Å)
C1	0.000	-0.559
O2	0.000	0.794
O3	1.126	-1.163
O4	-1.126	-1.163
Na5	2.171	0.710
Na6	-2.171	0.710

	C1	O2	O3	O4	Na5	Na6
C1		1.3534	1.2774	1.2774	2.5153	2.5153
O2	1.3534		2.2580	2.2580	2.1730	2.1730
O3	1.2774	2.2580		2.2510	2.1457	3.7921
O4	1.2774	2.2580	2.2510		3.7921	2.1457
Na5	2.5153	2.1730	2.1457	3.7921		4.3428
Na6	2.5153	2.1730	3.7921	2.1457	4.3428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.786	C1	O2	Na6	87.786
C1	O3	Na5	90.950	C1	O4	Na6	90.950
O2	C1	O3	118.223	O2	C1	O4	118.223
O2	Na5	O3	63.042	O2	Na6	O4	63.042
O3	C1	O4	123.555	Na5	O2	Na6	175.571

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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