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	hartrees
Energy at 0K	-463.792307
Energy at 298.15K	-463.794218
HF Energy	-463.792307
Nuclear repulsion energy	189.158696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1839	1751	579.28
2	A₁	956	910	93.93
3	A₁	833	793	22.45
4	A₁	539	513	112.90
5	B₁	828	789	21.18
6	B₁	170	162	47.63
7	B₂	1109	1056	620.08
8	B₂	691	658	0.41
9	B₂	491	468	8.70

Atom	y (Å)	z (Å)
C1	0.000	-0.705
O2	0.000	-1.913
Mg3	0.000	1.544
O4	1.130	0.063
O5	-1.130	0.063

	C1	O2	Mg3	O4	O5
C1		1.2079	2.2485	1.3659	1.3659
O2	1.2079		3.4563	2.2756	2.2756
Mg3	2.2485	3.4563		1.8629	1.8629
O4	1.3659	2.2756	1.8629		2.2598
O5	1.3659	2.2756	1.8629	2.2598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.843	C1	O5	Mg3	86.843
O2	C1	O4	124.183	O2	C1	O5	124.183
O4	C1	O5	111.634	O4	Mg3	O5	74.679

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

using model chemistry: wB97X-D/6-31+G**

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	0.830
2	O	-0.584
3	Mg	0.964
4	O	-0.605
5	O	-0.605

	x	y	z	Total
	0.000	0.000	12.635	12.635
CHELPG
AIM
ESP

<r²>	98.328
(<r²>)^1/2	9.916

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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