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	hartrees
Energy at 0K	-583.354009
Energy at 298.15K	-583.356868
HF Energy	-582.885435
Nuclear repulsion energy	255.495324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1212	1164	462.64
2	A₁	885	851	117.45
3	A₁	676	650	0.35
4	A₁	376	361	48.54
5	A₁	228	219	16.38
6	A₂	113	109	0.00
7	B₁	782	752	36.13
8	B₁	102	98	51.84
9	B₂	1537	1477	595.85
10	B₂	718	690	30.91
11	B₂	399	383	90.36
12	B₂	373	358	56.17

Atom	y (Å)	z (Å)
C1	0.000	-0.590
O2	0.000	0.837
O3	1.161	-1.185
O4	-1.161	-1.185
Na5	2.123	0.718
Na6	-2.123	0.718

	C1	O2	O3	O4	Na5	Na6
C1		1.4270	1.3044	1.3044	2.4937	2.4937
O2	1.4270		2.3314	2.3314	2.1263	2.1263
O3	1.3044	2.3314		2.3220	2.1323	3.7954
O4	1.3044	2.3314	2.3220		3.7954	2.1323
Na5	2.4937	2.1263	2.1323	3.7954		4.2459
Na6	2.4937	2.1263	3.7954	2.1323	4.2459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	86.797	C1	O2	Na6	86.797
C1	O3	Na5	89.694	C1	O4	Na6	89.694
O2	C1	O3	117.124	O2	C1	O4	117.124
O2	Na5	O3	66.385	O2	Na6	O4	66.385
O3	C1	O4	125.751	Na5	O2	Na6	173.594

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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