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	hartrees
Energy at 0K	-460.927566
Energy at 298.15K
HF Energy	-460.751179
Nuclear repulsion energy	185.989933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1799	1799	318.28
2	A₁	816	816	7.20
3	A₁	807	807	84.17
4	A₁	527	527	69.60
5	B₁	740	740	16.06
6	B₁	170	170	45.04
7	B₂	867	867	311.29
8	B₂	637	637	49.12
9	B₂	512	512	0.52

Atom	y (Å)	z (Å)
C1	0.000	-0.723
O2	0.000	-1.939
Mg3	0.000	1.521
O4	1.180	0.100
O5	-1.180	0.100

	C1	O2	Mg3	O4	O5
C1		1.2164	2.2438	1.4380	1.4380
O2	1.2164		3.4602	2.3555	2.3555
Mg3	2.2438	3.4602		1.8471	1.8471
O4	1.4380	2.3555	1.8471		2.3592
O5	1.4380	2.3555	1.8471	2.3592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.195	C1	O5	Mg3	85.195
O2	C1	O4	124.885	O2	C1	O5	124.885
O4	C1	O5	110.230	O4	Mg3	O5	79.381

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

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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/3-21G*

States and conformations

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