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	hartrees
Energy at 0K	-463.486820
Energy at 298.15K	-463.488707
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	1775	397.76
2	A₁	945	901	64.07
3	A₁	831	792	10.24
4	A₁	542	516	78.89
5	B₁	812	774	17.14
6	B₁	166	159	42.21
7	B₂	1065	1015	533.08
8	B₂	686	654	0.95
9	B₂	491	468	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)