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	hartrees
Energy at 0K	-463.842727
Energy at 298.15K	-463.844347
HF Energy	-463.842727
Nuclear repulsion energy	183.641140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1717	1650	376.38
2	A₁	830	798	71.03
3	A₁	747	718	3.94
4	A₁	499	480	72.67
5	B₁	722	694	16.77
6	B₁	165	159	48.10
7	B₂	834	802	447.05
8	B₂	613	590	2.95
9	B₂	437	420	0.13

Atom	y (Å)	z (Å)
C1	0.000	-0.745
O2	0.000	-1.975
Mg3	0.000	1.588
O4	1.160	0.076
O5	-1.160	0.076

	C1	O2	Mg3	O4	O5
C1		1.2299	2.3333	1.4212	1.4212
O2	1.2299		3.5632	2.3564	2.3564
Mg3	2.3333	3.5632		1.9057	1.9057
O4	1.4212	2.3564	1.9057		2.3198
O5	1.4212	2.3564	1.9057	2.3198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	87.808	C1	O5	Mg3	87.808
O2	C1	O4	125.301	O2	C1	O5	125.301
O4	C1	O5	109.398	O4	Mg3	O5	74.985

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

using model chemistry: B3LYP/SDD

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	0.345
2	O	-0.252
3	Mg	1.141
4	O	-0.617
5	O	-0.617

	x	y	z	Total
	0.000	0.000	11.892	11.892
CHELPG
AIM
ESP

<r²>	104.038
(<r²>)^1/2	10.200

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

using model chemistry: B3LYP/SDD

States and conformations

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