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	hartrees
Energy at 0K	-463.541029
Energy at 298.15K	-463.542858
HF Energy	-463.301607
Nuclear repulsion energy	188.363738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1824	1730	380.00
2	A₁	901	855	77.88
3	A₁	814	772	5.46
4	A₁	535	507	76.63
5	B₁	792	751	15.84
6	B₁	167	158	41.96
7	B₂	989	938	488.57
8	B₂	671	637	0.22
9	B₂	489	464	0.22

Atom	y (Å)	z (Å)
C1	0.000	-0.704
O2	0.000	-1.913
Mg3	0.000	1.537
O4	1.146	0.068
O5	-1.146	0.068

	C1	O2	Mg3	O4	O5
C1		1.2098	2.2408	1.3817	1.3817
O2	1.2098		3.4507	2.2889	2.2889
Mg3	2.2408	3.4507		1.8638	1.8638
O4	1.3817	2.2889	1.8638		2.2928
O5	1.3817	2.2889	1.8638	2.2928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.974	C1	O5	Mg3	85.974
O2	C1	O4	123.932	O2	C1	O5	123.932
O4	C1	O5	112.135	O4	Mg3	O5	75.916

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

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

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/6-31G*

States and conformations

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