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	hartrees
Energy at 0K	-579.046186
Energy at 298.15K	-579.049634
HF Energy	-578.763902
Nuclear repulsion energy	268.381308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1451	1290	262.53
2	A₁	1004	892	31.46
3	A₁	806	717	13.22
4	A₁	507	451	28.89
5	A₁	389	346	13.40
6	A₂	156	139	0.00
7	B₁	702	624	26.21
8	B₁	138	122	49.70
9	B₂	1788	1589	385.22
10	B₂	962	855	73.89
11	B₂	666	592	3.38
12	B₂	519	461	83.88

Atom	y (Å)	z (Å)
C1	0.000	-0.550
O2	0.000	0.862
O3	1.189	-1.139
O4	-1.189	-1.139
Na5	1.931	0.665
Na6	-1.931	0.665

	C1	O2	O3	O4	Na5	Na6
C1		1.4125	1.3267	1.3267	2.2816	2.2816
O2	1.4125		2.3277	2.3277	1.9412	1.9412
O3	1.3267	2.3277		2.3780	1.9504	3.6040
O4	1.3267	2.3277	2.3780		3.6040	1.9504
Na5	2.2816	1.9412	1.9504	3.6040		3.8622
Na6	2.2816	1.9412	3.6040	1.9504	3.8622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	84.162	C1	O2	Na6	84.162
C1	O3	Na5	86.026	C1	O4	Na6	86.026
O2	C1	O3	116.338	O2	C1	O4	116.338
O2	Na5	O3	73.473	O2	Na6	O4	73.473
O3	C1	O4	127.324	Na5	O2	Na6	168.325

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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