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	hartrees
Energy at 0K	-463.151922
Energy at 298.15K	-463.153936
HF Energy	-462.204071
Nuclear repulsion energy	191.070699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1862	1765	511.59
2	A₁	956	906	98.89
3	A₁	872	827	21.85
4	A₁	558	529	106.34
5	B₁	854	810	19.62
6	B₁	172	163	46.71
7	B₂	1115	1057	562.96
8	B₂	733	695	0.21
9	B₂	539	511	6.59

Atom	y (Å)	z (Å)
C1	0.000	-0.693
O2	0.000	-1.889
Mg3	0.000	1.515
O4	1.129	0.068
O5	-1.129	0.068

	C1	O2	Mg3	O4	O5
C1		1.1967	2.2078	1.3609	1.3609
O2	1.1967		3.4045	2.2593	2.2593
Mg3	2.2078	3.4045		1.8355	1.8355
O4	1.3609	2.2593	1.8355		2.2574
O5	1.3609	2.2593	1.8355	2.2574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.021	C1	O5	Mg3	86.021
O2	C1	O4	123.968	O2	C1	O5	123.968
O4	C1	O5	112.063	O4	Mg3	O5	75.895

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

using model chemistry: CCSD=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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