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	hartrees
Energy at 0K	-463.619561
Energy at 298.15K
HF Energy	-463.363104
Nuclear repulsion energy	188.353067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1751	1685	463.42
2	A₁	888	855	89.71
3	A₁	810	780	7.31
4	A₁	523	503	92.65
5	B₁	793	763	12.07
6	B₁	170	163	41.93
7	B₂	988	950	551.18
8	B₂	669	644	0.24
9	B₂	489	471	3.08

Atom	y (Å)	z (Å)
C1	0.000	-0.704
O2	0.000	-1.917
Mg3	0.000	1.537
O4	1.144	0.070
O5	-1.144	0.070

	C1	O2	Mg3	O4	O5
C1		1.2131	2.2412	1.3813	1.3813
O2	1.2131		3.4543	2.2926	2.2926
Mg3	2.2412	3.4543		1.8612	1.8612
O4	1.3813	2.2926	1.8612		2.2889
O5	1.3813	2.2926	1.8612	2.2889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.106	C1	O5	Mg3	86.106
O2	C1	O4	124.051	O2	C1	O5	124.051
O4	C1	O5	111.898	O4	Mg3	O5	75.890

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

using model chemistry: B2PLYP=FULLultrafine/aug-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=FULLultrafine/aug-cc-pVDZ

States and conformations

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