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	hartrees
Energy at 0K	-457.761249
Energy at 298.15K	-457.762872
HF Energy	-457.761249
Nuclear repulsion energy	186.608240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1836	1639	136.62
2	A₁	931	831	11.28
3	A₁	873	779	41.50
4	A₁	554	494	40.34
5	B₁	641	572	11.52
6	B₁	162	145	34.67
7	B₂	1064	949	152.25
8	B₂	772	689	1.66
9	B₂	487	435	0.87

Atom	y (Å)	z (Å)
C1	0.000	-0.695
O2	0.000	-1.953
Mg3	0.000	1.474
O4	1.192	0.132
O5	-1.192	0.132

	C1	O2	Mg3	O4	O5
C1		1.2580	2.1693	1.4508	1.4508
O2	1.2580		3.4273	2.4018	2.4018
Mg3	2.1693	3.4273		1.7949	1.7949
O4	1.4508	2.4018	1.7949		2.3838
O5	1.4508	2.4018	1.7949	2.3838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	83.154	C1	O5	Mg3	83.154
O2	C1	O4	124.762	O2	C1	O5	124.762
O4	C1	O5	110.476	O4	Mg3	O5	83.216

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

using model chemistry: B3LYP/STO-3G

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	0.144
2	O	-0.271
3	Mg	0.865
4	O	-0.369
5	O	-0.369

	x	y	z	Total
	0.000	0.000	8.926	8.926
CHELPG
AIM
ESP

<r²>	97.180
(<r²>)^1/2	9.858

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

using model chemistry: B3LYP/STO-3G

States and conformations

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