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	hartrees
Energy at 0K	-463.725639
Energy at 298.15K	-463.727377
HF Energy	-463.725639
Nuclear repulsion energy	184.693321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1778	1778	496.56
2	A₁	873	873	91.43
3	A₁	772	772	12.55
4	A₁	516	516	99.55
5	B₁	756	756	27.16
6	B₁	171	171	58.90
7	B₂	941	941	509.25
8	B₂	640	640	1.01
9	B₂	457	457	5.73

Atom	y (Å)	z (Å)
C1	0.000	-0.745
O2	0.000	-1.969
Mg3	0.000	1.587
O4	1.146	0.073
O5	-1.146	0.073

	C1	O2	Mg3	O4	O5
C1		1.2240	2.3316	1.4079	1.4079
O2	1.2240		3.5556	2.3416	2.3416
Mg3	2.3316	3.5556		1.8983	1.8983
O4	1.4079	2.3416	1.8983		2.2915
O5	1.4079	2.3416	1.8983	2.2915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	88.402	C1	O5	Mg3	88.402
O2	C1	O4	125.529	O2	C1	O5	125.529
O4	C1	O5	108.942	O4	Mg3	O5	74.253

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

using model chemistry: wB97X-D/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	0.386
2	O	-0.280
3	Mg	1.236
4	O	-0.671
5	O	-0.671

	x	y	z	Total
	0.000	0.000	12.904	12.904
CHELPG
AIM
ESP

<r²>	102.919
(<r²>)^1/2	10.145

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

using model chemistry: wB97X-D/SDD

States and conformations

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