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	hartrees
Energy at 0K	-583.367327
Energy at 298.15K	-583.370181
HF Energy	-582.885585
Nuclear repulsion energy	256.731888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1191	1129	405.85
2	A₁	875	829	170.47
3	A₁	677	641	1.30
4	A₁	366	347	41.25
5	A₁	237	225	15.49
6	A₂	110	105	0.00
7	B₁	782	742	26.20
8	B₁	101	96	54.74
9	B₂	1545	1465	683.18
10	B₂	715	678	14.97
11	B₂	405	384	41.71
12	B₂	373	354	73.62

Atom	y (Å)	z (Å)
C1	0.000	-0.585
O2	0.000	0.846
O3	1.161	-1.181
O4	-1.161	-1.181
Na5	2.103	0.711
Na6	-2.103	0.711

	C1	O2	O3	O4	Na5	Na6
C1		1.4317	1.3046	1.3046	2.4701	2.4701
O2	1.4317		2.3361	2.3361	2.1072	2.1072
O3	1.3046	2.3361		2.3214	2.1132	3.7721
O4	1.3046	2.3361	2.3214		3.7721	2.1132
Na5	2.4701	2.1072	2.1132	3.7721		4.2056
Na6	2.4701	2.1072	3.7721	2.1132	4.2056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	86.308	C1	O2	Na6	86.308
C1	O3	Na5	89.312	C1	O4	Na6	89.312
O2	C1	O3	117.163	O2	C1	O4	117.163
O2	Na5	O3	67.217	O2	Na6	O4	67.217
O3	C1	O4	125.674	Na5	O2	Na6	172.615

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

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G*

States and conformations

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