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	hartrees
Energy at 0K	-464.021470
Energy at 298.15K	-464.023335
HF Energy	-464.021470
Nuclear repulsion energy	189.551540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1768	1710	459.68
2	A₁	907	877	78.28
3	A₁	824	797	10.55
4	A₁	528	511	88.81
5	B₁	806	780	14.03
6	B₁	166	161	39.69
7	B₂	992	960	549.51
8	B₂	674	652	0.31
9	B₂	491	475	1.68

Atom	y (Å)	z (Å)
C1	0.000	-0.701
O2	0.000	-1.904
Mg3	0.000	1.529
O4	1.137	0.068
O5	-1.137	0.068

	C1	O2	Mg3	O4	O5
C1		1.2032	2.2299	1.3723	1.3723
O2	1.2032		3.4331	2.2762	2.2762
Mg3	2.2299	3.4331		1.8512	1.8512
O4	1.3723	2.2762	1.8512		2.2735
O5	1.3723	2.2762	1.8512	2.2735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.187	C1	O5	Mg3	86.187
O2	C1	O4	124.070	O2	C1	O5	124.070
O4	C1	O5	111.859	O4	Mg3	O5	75.766

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

using model chemistry: B3LYP/aug-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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Number	Element	Mulliken
1	C	0.599
2	O	-0.474
3	Mg	0.905
4	O	-0.515
5	O	-0.515

	x	y	z	Total
	0.000	0.000	11.558	11.558
CHELPG
AIM
ESP

<r²>	98.019
(<r²>)^1/2	9.900

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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