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	hartrees
Energy at 0K	-463.743299
Energy at 298.15K	-463.745195
HF Energy	-463.428437
Nuclear repulsion energy	189.719877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1790	1711	425.45
2	A₁	904	864	85.88
3	A₁	832	795	8.41
4	A₁	537	513	88.10
5	B₁	810	775	13.08
6	B₁	167	160	41.49
7	B₂	997	953	522.75
8	B₂	689	658	0.83
9	B₂	508	485	1.98

Atom	y (Å)	z (Å)
C1	0.000	-0.697
O2	0.000	-1.900
Mg3	0.000	1.523
O4	1.140	0.069
O5	-1.140	0.069

	C1	O2	Mg3	O4	O5
C1		1.2028	2.2205	1.3737	1.3737
O2	1.2028		3.4233	2.2757	2.2757
Mg3	2.2205	3.4233		1.8472	1.8472
O4	1.3737	2.2757	1.8472		2.2796
O5	1.3737	2.2757	1.8472	2.2796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.831	C1	O5	Mg3	85.831
O2	C1	O4	123.931	O2	C1	O5	123.931
O4	C1	O5	112.139	O4	Mg3	O5	76.200

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/cc-pVTZ

States and conformations

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