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	hartrees
Energy at 0K	-463.560830
Energy at 298.15K	-463.562665
HF Energy	-463.315768
Nuclear repulsion energy	187.903063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1775	1688	470.90
2	A₁	900	856	91.52
3	A₁	810	770	7.65
4	A₁	527	501	92.52
5	B₁	795	756	14.78
6	B₁	168	160	42.71
7	B₂	994	945	555.38
8	B₂	669	637	0.02
9	B₂	484	460	3.01

Atom	y (Å)	z (Å)
C1	0.000	-0.707
O2	0.000	-1.921
Mg3	0.000	1.548
O4	1.143	0.065
O5	-1.143	0.065

	C1	O2	Mg3	O4	O5
C1		1.2136	2.2556	1.3797	1.3797
O2	1.2136		3.4692	2.2914	2.2914
Mg3	2.2556	3.4692		1.8729	1.8729
O4	1.3797	2.2914	1.8729		2.2868
O5	1.3797	2.2914	1.8729	2.2868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.409	C1	O5	Mg3	86.409
O2	C1	O4	124.034	O2	C1	O5	124.034
O4	C1	O5	111.933	O4	Mg3	O5	75.250

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

using model chemistry: B2PLYP=FULL/6-31+G**

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

using model chemistry: B2PLYP=FULL/6-31+G**

States and conformations

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