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	hartrees
Energy at 0K	-54.431364
Energy at 298.15K	-54.433216
HF Energy	-54.431364
Nuclear repulsion energy	64.357395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1832	1832	553.77
2	A₁	935	935	89.52
3	A₁	814	814	11.59
4	A₁	520	520	100.39
5	B₁	800	800	19.51
6	B₁	169	169	48.32
7	B₂	1069	1069	607.43
8	B₂	681	681	0.26
9	B₂	492	492	5.20

Atom	y (Å)	z (Å)
C1	0.000	-0.705
O2	0.000	-1.921
Mg3	0.000	1.539
O4	1.141	0.071
O5	-1.141	0.071

	C1	O2	Mg3	O4	O5
C1		1.2162	2.2431	1.3795	1.3795
O2	1.2162		3.4593	2.2953	2.2953
Mg3	2.2431	3.4593		1.8591	1.8591
O4	1.3795	2.2953	1.8591		2.2819
O5	1.3795	2.2953	1.8591	2.2819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.340	C1	O5	Mg3	86.340
O2	C1	O4	124.200	O2	C1	O5	124.200
O4	C1	O5	111.601	O4	Mg3	O5	75.720

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

using model chemistry: wB97X-D/CEP-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	0.121
2	O	-0.129
3	Mg	0.874
4	O	-0.433
5	O	-0.433

	x	y	z	Total
	0.000	0.000	12.159	12.159
CHELPG
AIM
ESP

<r²>	60.137
(<r²>)^1/2	7.755

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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