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	hartrees
Energy at 0K	-277.644452
Energy at 298.15K	-277.647141
HF Energy	-277.644452
Nuclear repulsion energy	152.172527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1494	1351	635.93
2	A₁	1124	1016	88.92
3	A₁	799	723	31.42
4	A₁	635	575	92.05
5	A₁	418	378	51.20
6	A₂	192	174	0.00
7	B₁	966	874	57.66
8	B₁	189	171	135.55
9	B₂	1765	1597	886.29
10	B₂	856	774	81.82
11	B₂	637	576	212.82
12	B₂	537	486	31.26

Atom	y (Å)	z (Å)
C1	0.000	-0.231
O2	0.000	1.095
O3	1.116	-0.786
O4	-1.116	-0.786
Li5	1.798	0.868
Li6	-1.798	0.868

	C1	O2	O3	O4	Li5	Li6
C1		1.3268	1.2466	1.2466	2.1079	2.1079
O2	1.3268		2.1879	2.1879	1.8128	1.8128
O3	1.2466	2.1879		2.2324	1.7896	3.3515
O4	1.2466	2.1879	2.2324		3.3515	1.7896
Li5	2.1079	1.8128	1.7896	3.3515		3.5969
Li6	2.1079	1.8128	3.3515	1.7896	3.5969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	Li5	82.797	C1	O2	Li6	82.797
C1	O3	Li5	85.972	C1	O4	Li6	85.972
O2	C1	O3	116.438	O2	C1	O4	116.438
O3	C1	O4	127.124

All results from a given calculation for Li₂CO₃ (Lithium Carbonate)

using model chemistry: HF/daug-cc-pVTZ

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	1.739
2	O	-0.618
3	O	-1.185
4	O	-1.185
5	Li	0.624
6	Li	0.624

	x	y	z	Total
	0.000	0.000	6.656	6.656
CHELPG
AIM
ESP

<r²>	76.532
(<r²>)^1/2	8.748

All results from a given calculation for Li2CO3 (Lithium Carbonate)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for Li₂CO₃ (Lithium Carbonate)