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	hartrees
Energy at 0K	-463.570113
Energy at 298.15K	-463.571695
HF Energy	-463.570113
Nuclear repulsion energy	186.972994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1739	1721	289.83
2	A₁	859	850	47.11
3	A₁	780	772	2.07
4	A₁	504	499	57.08
5	B₁	755	747	4.99
6	B₁	155	154	35.69
7	B₂	838	830	531.32
8	B₂	615	608	10.16
9	B₂	361	357	43.14

Atom	y (Å)	z (Å)
C1	0.000	-0.708
O2	0.000	-1.921
Mg3	0.000	1.555
O4	1.155	0.059
O5	-1.155	0.059

	C1	O2	Mg3	O4	O5
C1		1.2126	2.2634	1.3870	1.3870
O2	1.2126		3.4760	2.2924	2.2924
Mg3	2.2634	3.4760		1.8903	1.8903
O4	1.3870	2.2924	1.8903		2.3109
O5	1.3870	2.2924	1.8903	2.3109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.911	C1	O5	Mg3	85.911
O2	C1	O4	123.591	O2	C1	O5	123.591
O4	C1	O5	112.819	O4	Mg3	O5	75.359

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

using model chemistry: PBEPBEultrafine/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	0.487
2	O	-0.323
3	Mg	0.805
4	O	-0.485
5	O	-0.485

	x	y	z	Total
	0.000	0.000	10.522	10.522
CHELPG
AIM
ESP

<r²>	100.142
(<r²>)^1/2	10.007

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

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

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