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	hartrees
Energy at 0K	-578.768472
Energy at 298.15K	-578.772007
HF Energy	-578.768472
Nuclear repulsion energy	270.561796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1575	1286	315.25
2	A₁	1107	903	18.56
3	A₁	832	679	24.29
4	A₁	517	422	31.29
5	A₁	374	306	17.75
6	A₂	157	128	0.00
7	B₁	809	660	67.15
8	B₁	144	117	50.11
9	B₂	1818	1484	591.35
10	B₂	965	788	67.82
11	B₂	652	533	0.95
12	B₂	531	434	99.49

Atom	y (Å)	z (Å)
C1	0.000	-0.549
O2	0.000	0.822
O3	1.164	-1.119
O4	-1.164	-1.119
Na5	1.947	0.664
Na6	-1.947	0.664

	C1	O2	O3	O4	Na5	Na6
C1		1.3710	1.2965	1.2965	2.2937	2.2937
O2	1.3710		2.2636	2.2636	1.9532	1.9532
O3	1.2965	2.2636		2.3288	1.9471	3.5859
O4	1.2965	2.2636	2.3288		3.5859	1.9471
Na5	2.2937	1.9532	1.9471	3.5859		3.8936
Na6	2.2937	1.9532	3.5859	1.9471	3.8936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	85.354	C1	O2	Na6	85.354
C1	O3	Na5	87.601	C1	O4	Na6	87.601
O2	C1	O3	116.091	O2	C1	O4	116.091
O2	Na5	O3	70.953	O2	Na6	O4	70.953
O3	C1	O4	127.818	Na5	O2	Na6	170.709

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.274
2	O	-0.579
3	O	-0.507
4	O	-0.507
5	Na	0.660
6	Na	0.660

	x	y	z	Total
	0.000	0.000	7.539	7.539
CHELPG
AIM
ESP

<r²>	155.273
(<r²>)^1/2	12.461

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

using model chemistry: HF/STO-3G

States and conformations

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