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	hartrees
Energy at 0K	-580.788107
Energy at 298.15K	-580.791480
HF Energy	-580.788107
Nuclear repulsion energy	267.233028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1424	1257	221.52
2	A₁	998	882	21.53
3	A₁	792	699	15.70
4	A₁	491	433	25.95
5	A₁	381	336	13.97
6	A₂	149	132	0.00
7	B₁	709	626	25.62
8	B₁	132	116	47.16
9	B₂	1713	1513	355.38
10	B₂	931	822	64.69
11	B₂	651	575	3.22
12	B₂	504	445	75.28

Atom	y (Å)	z (Å)
C1	0.000	-0.548
O2	0.000	0.858
O3	1.184	-1.140
O4	-1.184	-1.140
Na5	1.954	0.667
Na6	-1.954	0.667

	C1	O2	O3	O4	Na5	Na6
C1		1.4066	1.3240	1.3240	2.3006	2.3006
O2	1.4066		2.3230	2.3230	1.9629	1.9629
O3	1.3240	2.3230		2.3687	1.9637	3.6209
O4	1.3240	2.3230	2.3687		3.6209	1.9637
Na5	2.3006	1.9629	1.9637	3.6209		3.9071
Na6	2.3006	1.9629	3.6209	1.9637	3.9071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	84.399	C1	O2	Na6	84.399
C1	O3	Na5	86.512	C1	O4	Na6	86.512
O2	C1	O3	116.549	O2	C1	O4	116.549
O2	Na5	O3	72.540	O2	Na6	O4	72.540
O3	C1	O4	126.902	Na5	O2	Na6	168.799

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

using model chemistry: B1B95/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	0.132
2	O	-0.480
3	O	-0.415
4	O	-0.415
5	Na	0.589
6	Na	0.589

	x	y	z	Total
	0.000	0.000	6.990	6.990
CHELPG
AIM
ESP

<r²>	158.098
(<r²>)^1/2	12.574

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

using model chemistry: B1B95/STO-3G

States and conformations

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