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	hartrees
Energy at 0K	-588.300141
Energy at 298.15K	-588.302971
HF Energy	-588.300141
Nuclear repulsion energy	255.652871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1288	1219	514.53
2	A₁	958	907	93.52
3	A₁	677	641	0.53
4	A₁	352	333	42.71
5	A₁	203	192	22.81
6	A₂	116	110	0.00
7	B₁	796	753	33.09
8	B₁	119	113	60.53
9	B₂	1589	1504	665.77
10	B₂	719	680	9.72
11	B₂	382	362	99.90
12	B₂	358	339	9.66

Atom	y (Å)	z (Å)
C1	0.000	-0.584
O2	0.000	0.799
O3	1.151	-1.175
O4	-1.151	-1.175
Na5	2.153	0.723
Na6	-2.153	0.723

	C1	O2	O3	O4	Na5	Na6
C1		1.3835	1.2939	1.2939	2.5185	2.5185
O2	1.3835		2.2856	2.2856	2.1539	2.1539
O3	1.2939	2.2856		2.3020	2.1464	3.8102
O4	1.2939	2.2856	2.3020		3.8102	2.1464
Na5	2.5185	2.1539	2.1464	3.8102		4.3051
Na6	2.5185	2.1539	3.8102	2.1464	4.3051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Na5	87.973	C1	O2	Na6	87.973
C1	O3	Na5	90.634	C1	O4	Na6	90.634
O2	C1	O3	117.181	O2	C1	O4	117.181
O2	Na5	O3	64.212	O2	Na6	O4	64.212
O3	C1	O4	125.638	Na5	O2	Na6	175.946

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

using model chemistry: mPW1PW91/6-31G

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	0.657
2	O	-0.802
3	O	-0.650
4	O	-0.650
5	Na	0.722
6	Na	0.722

	x	y	z	Total
	0.000	0.000	8.678	8.678
CHELPG
AIM
ESP

<r²>	179.096
(<r²>)^1/2	13.383

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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