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	hartrees
Energy at 0K	-587.105781
Energy at 298.15K	-587.108667
HF Energy	-586.390280
Nuclear repulsion energy	255.296960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1379	1307	690.03
2	A₁	1037	983	102.48
3	A₁	725	687	0.87
4	A₁	350	332	60.94
5	A₁	192	182	28.61
6	A₂	113	107	0.00
7	B₁	871	826	31.32
8	B₁	116	110	61.44
9	B₂	1634	1549	861.88
10	B₂	759	719	15.32
11	B₂	374	355	136.82
12	B₂	352	333	0.03

Atom	y (Å)	z (Å)
C1	0.000	-0.577
O2	0.000	0.773
O3	1.124	-1.166
O4	-1.124	-1.166
Na5	2.205	0.724
Na6	-2.205	0.724

	C1	O2	O3	O4	Na5	Na6
C1		1.3500	1.2688	1.2688	2.5602	2.5602
O2	1.3500		2.2407	2.2407	2.2053	2.2053
O3	1.2688	2.2407		2.2483	2.1769	3.8279
O4	1.2688	2.2407	2.2483		3.8279	2.1769
Na5	2.5602	2.2053	2.1769	3.8279		4.4096
Na6	2.5602	2.2053	3.8279	2.1769	4.4096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	88.739	C1	O2	Na6	88.739
C1	O3	Na5	92.137	C1	O4	Na6	92.137
O2	C1	O3	117.625	O2	C1	O4	117.625
O2	Na5	O3	61.498	O2	Na6	O4	61.498
O3	C1	O4	124.749	Na5	O2	Na6	177.479

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

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

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