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	hartrees
Energy at 0K	-584.982014
Energy at 298.15K
HF Energy	-584.982014
Nuclear repulsion energy	261.252235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1252	1196	429.02
2	A₁	905	864	103.00
3	A₁	665	635	1.89
4	A₁	100	95	42.97
5	A₁	771i	736i	11.74
6	A₂	705i	673i	0.00
7	B₁	801	765	22.92
8	B₁	915i	873i	88.47
9	B₂	1588	1517	660.31
10	B₂	623	595	4.51
11	B₂	363	347	108.15
12	B₂	1532i	1463i	0.85

Atom	y (Å)	z (Å)
C1	0.000	-0.565
O2	0.000	0.831
O3	1.146	-1.152
O4	-1.146	-1.152
Na5	2.075	0.689
Na6	-2.075	0.689

	C1	O2	O3	O4	Na5	Na6
C1		1.3964	1.2876	1.2876	2.4250	2.4250
O2	1.3964		2.2906	2.2906	2.0802	2.0802
O3	1.2876	2.2906		2.2922	2.0624	3.7105
O4	1.2876	2.2906	2.2922		3.7105	2.0624
Na5	2.4250	2.0802	2.0624	3.7105		4.1507
Na6	2.4250	2.0802	3.7105	2.0624	4.1507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	86.085	C1	O2	Na6	86.085
C1	O3	Na5	89.664	C1	O4	Na6	89.664
O2	C1	O3	117.115	O2	C1	O4	117.115
O2	Na5	O3	67.136	O2	Na6	O4	67.136
O3	C1	O4	125.770	Na5	O2	Na6	172.170

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

using model chemistry: B1B95/3-21G*

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	0.756
2	O	-0.606
3	O	-0.589
4	O	-0.589
5	Na	0.514
6	Na	0.514

	x	y	z	Total
	0.000	0.000	7.385	7.385
CHELPG
AIM
ESP

<r²>	170.869
(<r²>)^1/2	13.072

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

using model chemistry: B1B95/3-21G*

States and conformations

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