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	hartrees
Energy at 0K	-587.090083
Energy at 298.15K	-587.093005
HF Energy	-586.358530
Nuclear repulsion energy	255.792546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1357	1295	598.07
2	A₁	1013	966	86.85
3	A₁	716	683	1.95
4	A₁	364	347	53.16
5	A₁	204	195	23.66
6	A₂	112	107	0.00
7	B₁	873	833	25.27
8	B₁	105	100	55.02
9	B₂	1616	1542	750.29
10	B₂	751	716	13.48
11	B₂	388	370	139.55
12	B₂	372	355	1.24

Atom	y (Å)	z (Å)
C1	0.000	-0.572
O2	0.000	0.783
O3	1.126	-1.169
O4	-1.126	-1.169
Na5	2.187	0.721
Na6	-2.187	0.721

	C1	O2	O3	O4	Na5	Na6
C1		1.3554	1.2745	1.2745	2.5407	2.5407
O2	1.3554		2.2534	2.2534	2.1878	2.1878
O3	1.2745	2.2534		2.2527	2.1669	3.8143
O4	1.2745	2.2534	2.2527		3.8143	2.1669
Na5	2.5407	2.1878	2.1669	3.8143		4.3739
Na6	2.5407	2.1878	3.8143	2.1669	4.3739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.373	C1	O2	Na6	88.373
C1	O3	Na5	91.406	C1	O4	Na6	91.406
O2	C1	O3	117.898	O2	C1	O4	117.898
O2	Na5	O3	62.323	O2	Na6	O4	62.323
O3	C1	O4	124.204	Na5	O2	Na6	176.746

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

using model chemistry: QCISD/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: QCISD/6-311G**

States and conformations

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