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	hartrees
Energy at 0K	-463.619596
Energy at 298.15K	-463.621471
HF Energy	-463.330572
Nuclear repulsion energy	189.717101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1826	1826	381.78
2	A₁	900	900	77.95
3	A₁	826	826	7.82
4	A₁	537	537	79.77
5	B₁	808	808	12.93
6	B₁	169	169	40.84
7	B₂	983	983	517.57
8	B₂	683	683	1.71
9	B₂	503	503	0.28

Atom	y (Å)	z (Å)
C1	0.000	-0.699
O2	0.000	-1.900
Mg3	0.000	1.520
O4	1.142	0.072
O5	-1.142	0.072

	C1	O2	Mg3	O4	O5
C1		1.2006	2.2193	1.3775	1.3775
O2	1.2006		3.4199	2.2782	2.2782
Mg3	2.2193	3.4199		1.8442	1.8442
O4	1.3775	2.2782	1.8442		2.2831
O5	1.3775	2.2782	1.8442	2.2831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.787	C1	O5	Mg3	85.787
O2	C1	O4	124.031	O2	C1	O5	124.031
O4	C1	O5	111.938	O4	Mg3	O5	76.487

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

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