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	hartrees
Energy at 0K	-463.572657
Energy at 298.15K	-463.574501
HF Energy	-463.332644
Nuclear repulsion energy	188.094982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1812	1737	387.93
2	A₁	892	855	75.41
3	A₁	812	778	4.97
4	A₁	534	511	74.10
5	B₁	794	761	12.65
6	B₁	166	159	42.47
7	B₂	975	935	487.83
8	B₂	670	642	0.89
9	B₂	488	468	0.05

Atom	y (Å)	z (Å)
C1	0.000	-0.706
O2	0.000	-1.914
Mg3	0.000	1.542
O4	1.147	0.065
O5	-1.147	0.065

	C1	O2	Mg3	O4	O5
C1		1.2080	2.2487	1.3827	1.3827
O2	1.2080		3.4568	2.2882	2.2882
Mg3	2.2487	3.4568		1.8702	1.8702
O4	1.3827	2.2882	1.8702		2.2945
O5	1.3827	2.2882	1.8702	2.2945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.090	C1	O5	Mg3	86.090
O2	C1	O4	123.928	O2	C1	O5	123.928
O4	C1	O5	112.144	O4	Mg3	O5	75.677

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

using model chemistry: B2PLYP=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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