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	hartrees
Energy at 0K	-457.779665
Energy at 298.15K	-457.781448
HF Energy	-457.779665
Nuclear repulsion energy	188.911195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1935	1935	163.12
2	A₁	984	984	16.57
3	A₁	933	933	50.88
4	A₁	581	581	46.12
5	B₁	685	685	22.11
6	B₁	179	179	37.30
7	B₂	1158	1158	175.11
8	B₂	842	842	0.02
9	B₂	513	513	0.70

Atom	y (Å)	z (Å)
C1	0.000	-0.688
O2	0.000	-1.932
Mg3	0.000	1.463
O4	1.172	0.127
O5	-1.172	0.127

	C1	O2	Mg3	O4	O5
C1		1.2442	2.1507	1.4275	1.4275
O2	1.2442		3.3949	2.3695	2.3695
Mg3	2.1507	3.3949		1.7765	1.7765
O4	1.4275	2.3695	1.7765		2.3434
O5	1.4275	2.3695	1.7765	2.3434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	83.568	C1	O5	Mg3	83.568
O2	C1	O4	124.834	O2	C1	O5	124.834
O4	C1	O5	110.333	O4	Mg3	O5	82.532

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

using model chemistry: M06-2X/STO-3G

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	0.183
2	O	-0.286
3	Mg	0.902
4	O	-0.399
5	O	-0.399

	x	y	z	Total
	0.000	0.000	9.235	9.235
CHELPG
AIM
ESP

<r²>	95.253
(<r²>)^1/2	9.760

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

using model chemistry: M06-2X/STO-3G

States and conformations

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