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	hartrees
Energy at 0K	-462.211828
Energy at 298.15K	-462.213946
HF Energy	-462.211828
Nuclear repulsion energy	193.007412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1939	1754	761.66
2	A₁	1049	949	108.06
3	A₁	920	833	44.76
4	A₁	582	526	129.21
5	B₁	938	848	45.29
6	B₁	180	163	48.71
7	B₂	1257	1137	669.72
8	B₂	771	697	1.17
9	B₂	553	500	13.87

Atom	y (Å)	z (Å)
C1	0.000	-0.696
O2	0.000	-1.880
Mg3	0.000	1.516
O4	1.102	0.064
O5	-1.102	0.064

	C1	O2	Mg3	O4	O5
C1		1.1845	2.2119	1.3380	1.3380
O2	1.1845		3.3964	2.2342	2.2342
Mg3	2.2119	3.3964		1.8233	1.8233
O4	1.3380	2.2342	1.8233		2.2036
O5	1.3380	2.2342	1.8233	2.2036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	87.390	C1	O5	Mg3	87.390
O2	C1	O4	124.567	O2	C1	O5	124.567
O4	C1	O5	110.865	O4	Mg3	O5	74.354

All results from a given calculation for MgCO₃ (Magnesium 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	1.762
2	O	-1.155
3	Mg	1.030
4	O	-0.818
5	O	-0.818

	x	y	z	Total
	0.000	0.000	13.146	13.146
CHELPG
AIM
ESP

<r²>	94.910
(<r²>)^1/2	9.742

All results from a given calculation for MgCO3 (Magnesium Carbonate)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for MgCO₃ (Magnesium Carbonate)