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	hartrees
Energy at 0K	-463.606584
Energy at 298.15K	-463.608455
HF Energy	-463.606584
Nuclear repulsion energy	189.395792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1835	1761	423.59
2	A₁	936	898	68.69
3	A₁	828	795	9.55
4	A₁	535	514	82.06
5	B₁	820	787	16.95
6	B₁	163	156	43.52
7	B₂	1030	989	563.21
8	B₂	684	656	0.36
9	B₂	487	467	0.51

Atom	y (Å)	z (Å)
C1	0.000	-0.703
O2	0.000	-1.903
Mg3	0.000	1.541
O4	1.133	0.059
O5	-1.133	0.059

	C1	O2	Mg3	O4	O5
C1		1.1996	2.2446	1.3656	1.3656
O2	1.1996		3.4443	2.2656	2.2656
Mg3	2.2446	3.4443		1.8658	1.8658
O4	1.3656	2.2656	1.8658		2.2661
O5	1.3656	2.2656	1.8658	2.2661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.540	C1	O5	Mg3	86.540
O2	C1	O4	123.932	O2	C1	O5	123.932
O4	C1	O5	112.136	O4	Mg3	O5	74.785

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	0.565
2	O	-0.371
3	Mg	0.917
4	O	-0.555
5	O	-0.555

	x	y	z	Total
	0.000	0.000	11.539	11.539
CHELPG
AIM
ESP

<r²>	97.838
(<r²>)^1/2	9.891

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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