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	hartrees
Energy at 0K	-463.524233
Energy at 298.15K	-463.526110
HF Energy	-463.524233
Nuclear repulsion energy	189.436292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1858	1773	391.73
2	A₁	942	899	63.51
3	A₁	828	790	9.69
4	A₁	540	515	77.91
5	B₁	810	773	16.94
6	B₁	166	158	41.85
7	B₂	1057	1008	534.99
8	B₂	682	651	1.02
9	B₂	487	465	0.22

Atom	y (Å)	z (Å)
C1	0.000	-0.699
O2	0.000	-1.905
Mg3	0.000	1.533
O4	1.136	0.064
O5	-1.136	0.064

	C1	O2	Mg3	O4	O5
C1		1.2058	2.2322	1.3687	1.3687
O2	1.2058		3.4379	2.2732	2.2732
Mg3	2.2322	3.4379		1.8572	1.8572
O4	1.3687	2.2732	1.8572		2.2724
O5	1.3687	2.2732	1.8572	2.2724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.167	C1	O5	Mg3	86.167
O2	C1	O4	123.885	O2	C1	O5	123.885
O4	C1	O5	112.229	O4	Mg3	O5	75.437

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

using model chemistry: HSEh1PBE/6-31G**

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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Number	Element	Mulliken
1	C	0.856
2	O	-0.513
3	Mg	0.983
4	O	-0.663
5	O	-0.663

	x	y	z	Total
	0.000	0.000	11.252	11.252
CHELPG
AIM
ESP

<r²>	97.557
(<r²>)^1/2	9.877

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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