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	hartrees
Energy at 0K	-462.983228
Energy at 298.15K	-462.985200
HF Energy	-462.110104
Nuclear repulsion energy	190.765608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1890	1780	467.58
2	A₁	948	893	93.60
3	A₁	848	798	16.51
4	A₁	552	519	100.85
5	B₁	861	811	19.53
6	B₁	174	163	46.28
7	B₂	1092	1028	557.43
8	B₂	715	673	0.12
9	B₂	521	491	3.59

Atom	y (Å)	z (Å)
C1	0.000	-0.696
O2	0.000	-1.891
Mg3	0.000	1.518
O4	1.131	0.068
O5	-1.131	0.068

	C1	O2	Mg3	O4	O5
C1		1.1948	2.2143	1.3651	1.3651
O2	1.1948		3.4091	2.2625	2.2625
Mg3	2.2143	3.4091		1.8383	1.8383
O4	1.3651	2.2625	1.8383		2.2614
O5	1.3651	2.2625	1.8383	2.2614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.118	C1	O5	Mg3	86.118
O2	C1	O4	124.075	O2	C1	O5	124.075
O4	C1	O5	111.850	O4	Mg3	O5	75.914

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

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

States and conformations

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