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	hartrees
Energy at 0K	-582.511281
Energy at 298.15K	-582.514235
HF Energy	-582.511281
Nuclear repulsion energy	262.822059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1226	1206	368.91
2	A₁	900	885	137.46
3	A₁	674	663	1.28
4	A₁	376	370	32.26
5	A₁	247	243	13.83
6	A₂	123	121	0.00
7	B₁	788	775	15.21
8	B₁	105	103	51.54
9	B₂	1580	1554	616.13
10	B₂	713	701	15.15
11	B₂	415	408	13.86
12	B₂	391	384	83.87

Atom	y (Å)	z (Å)
C1	0.000	-0.563
O2	0.000	0.839
O3	1.146	-1.152
O4	-1.146	-1.152
Na5	2.044	0.686
Na6	-2.044	0.686

	C1	O2	O3	O4	Na5	Na6
C1		1.4025	1.2887	1.2887	2.3960	2.3960
O2	1.4025		2.2980	2.2980	2.0501	2.0501
O3	1.2887	2.2980		2.2922	2.0466	3.6825
O4	1.2887	2.2980	2.2922		3.6825	2.0466
Na5	2.3960	2.0501	2.0466	3.6825		4.0888
Na6	2.3960	2.0501	3.6825	2.0466	4.0888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	85.721	C1	O2	Na6	85.721
C1	O3	Na5	88.823	C1	O4	Na6	88.823
O2	C1	O3	117.212	O2	C1	O4	117.212
O2	Na5	O3	68.243	O2	Na6	O4	68.243
O3	C1	O4	125.576	Na5	O2	Na6	171.442

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	0.626
2	O	-0.509
3	O	-0.498
4	O	-0.498
5	Na	0.440
6	Na	0.440

	x	y	z	Total
	0.000	0.000	6.891	6.891
CHELPG
AIM
ESP

<r²>	168.817
(<r²>)^1/2	12.993

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

using model chemistry: LSDA/3-21G

States and conformations

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