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	hartrees
Energy at 0K	-463.486820
Energy at 298.15K	-463.488697
HF Energy	-463.486820
Nuclear repulsion energy	189.479063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1862	1770	397.76
2	A₁	945	898	64.07
3	A₁	831	789	10.24
4	A₁	542	515	78.89
5	B₁	812	771	17.14
6	B₁	166	158	42.21
7	B₂	1065	1012	533.08
8	B₂	686	652	0.95
9	B₂	491	467	0.41

Atom	y (Å)	z (Å)
C1	0.000	-0.698
O2	0.000	-1.904
Mg3	0.000	1.533
O4	1.136	0.064
O5	-1.136	0.064

	C1	O2	Mg3	O4	O5
C1		1.2058	2.2310	1.3684	1.3684
O2	1.2058		3.4368	2.2728	2.2728
Mg3	2.2310	3.4368		1.8566	1.8566
O4	1.3684	2.2728	1.8566		2.2723
O5	1.3684	2.2728	1.8566	2.2723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.139	C1	O5	Mg3	86.139
O2	C1	O4	123.870	O2	C1	O5	123.870
O4	C1	O5	112.260	O4	Mg3	O5	75.462

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

using model chemistry: PBE1PBE/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	0.859
2	O	-0.514
3	Mg	0.987
4	O	-0.665
5	O	-0.665

	x	y	z	Total
	0.000	0.000	11.288	11.288
CHELPG
AIM
ESP

<r²>	97.500
(<r²>)^1/2	9.874

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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