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	hartrees
Energy at 0K	-462.879231
Energy at 298.15K	-462.881142
HF Energy	-462.136686
Nuclear repulsion energy	188.101465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1792	1726	541.00
2	A₁	915	881	102.85
3	A₁	829	799	17.97
4	A₁	536	517	113.41
5	B₁	817	787	17.31
6	B₁	168	162	46.68
7	B₂	1065	1026	580.00
8	B₂	691	666	0.13
9	B₂	503	485	7.58

Atom	y (Å)	z (Å)
C1	0.000	-0.708
O2	0.000	-1.921
Mg3	0.000	1.546
O4	1.141	0.067
O5	-1.141	0.067

	C1	O2	Mg3	O4	O5
C1		1.2127	2.2542	1.3797	1.3797
O2	1.2127		3.4669	2.2923	2.2923
Mg3	2.2542	3.4669		1.8679	1.8679
O4	1.3797	2.2923	1.8679		2.2824
O5	1.3797	2.2923	1.8679	2.2824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.537	C1	O5	Mg3	86.537
O2	C1	O4	124.194	O2	C1	O5	124.194
O4	C1	O5	111.611	O4	Mg3	O5	75.314

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

using model chemistry: CCSD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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