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	hartrees
Energy at 0K	-462.156560
Energy at 298.15K	-462.158671
HF Energy	-462.156560
Nuclear repulsion energy	191.937598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1977	1796	734.49
2	A₁	1049	953	106.88
3	A₁	911	828	38.11
4	A₁	581	528	123.37
5	B₁	939	853	59.97
6	B₁	178	161	53.46
7	B₂	1247	1132	688.67
8	B₂	765	695	0.90
9	B₂	542	493	10.69

Atom	y (Å)	z (Å)
C1	0.000	-0.706
O2	0.000	-1.888
Mg3	0.000	1.536
O4	1.103	0.057
O5	-1.103	0.057

	C1	O2	Mg3	O4	O5
C1		1.1823	2.2418	1.3407	1.3407
O2	1.1823		3.4241	2.2358	2.2358
Mg3	2.2418	3.4241		1.8447	1.8447
O4	1.3407	2.2358	1.8447		2.2051
O5	1.3407	2.2358	1.8447	2.2051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	87.973	C1	O5	Mg3	87.973
O2	C1	O4	124.677	O2	C1	O5	124.677
O4	C1	O5	110.646	O4	Mg3	O5	73.407

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

using model chemistry: HF/6-311G**

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	0.781
2	O	-0.494
3	Mg	1.160
4	O	-0.724
5	O	-0.724

	x	y	z	Total
	0.000	0.000	13.191	13.191
CHELPG
AIM
ESP

<r²>	95.779
(<r²>)^1/2	9.787

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

using model chemistry: HF/6-311G**

States and conformations

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