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	hartrees
Energy at 0K	-462.884024
Energy at 298.15K	-462.885903
HF Energy	-462.136097
Nuclear repulsion energy	187.812756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1772	1717	496.28
2	A₁	903	875	96.23
3	A₁	819	793	10.52
4	A₁	531	515	104.69
5	B₁	807	782	14.82
6	B₁	168	162	45.16
7	B₂	1023	991	566.87
8	B₂	681	660	0.73
9	B₂	494	478	4.71

Atom	y (Å)	z (Å)
C1	0.000	-0.709
O2	0.000	-1.923
Mg3	0.000	1.548
O4	1.143	0.066
O5	-1.143	0.066

	C1	O2	Mg3	O4	O5
C1		1.2145	2.2570	1.3814	1.3814
O2	1.2145		3.4715	2.2947	2.2947
Mg3	2.2570	3.4715		1.8718	1.8718
O4	1.3814	2.2947	1.8718		2.2868
O5	1.3814	2.2947	1.8718	2.2868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.479	C1	O5	Mg3	86.479
O2	C1	O4	124.132	O2	C1	O5	124.132
O4	C1	O5	111.736	O4	Mg3	O5	75.306

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

using model chemistry: QCISD/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: QCISD/aug-cc-pVDZ

States and conformations

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