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	hartrees
Energy at 0K	-54.439979
Energy at 298.15K	-54.441835
HF Energy	-54.439979
Nuclear repulsion energy	64.520395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1799	1799	522.95
2	A₁	930	930	88.79
3	A₁	813	813	12.34
4	A₁	524	524	101.52
5	B₁	804	804	20.58
6	B₁	165	165	48.71
7	B₂	1062	1062	599.73
8	B₂	676	676	0.01
9	B₂	490	490	4.95

Atom	y (Å)	z (Å)
C1	0.000	-0.704
O2	0.000	-1.915
Mg3	0.000	1.536
O4	1.139	0.070
O5	-1.139	0.070

	C1	O2	Mg3	O4	O5
C1		1.2107	2.2399	1.3770	1.3770
O2	1.2107		3.4506	2.2881	2.2881
Mg3	2.2399	3.4506		1.8567	1.8567
O4	1.3770	2.2881	1.8567		2.2781
O5	1.3770	2.2881	1.8567	2.2781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.344	C1	O5	Mg3	86.344
O2	C1	O4	124.187	O2	C1	O5	124.187
O4	C1	O5	111.627	O4	Mg3	O5	75.686

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

using model chemistry: wB97X-D/CEP-121G*

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	0.509
2	O	-0.300
3	Mg	1.024
4	O	-0.617
5	O	-0.617

	x	y	z	Total
	0.000	0.000	12.181	12.181
CHELPG
AIM
ESP

<r²>	59.898
(<r²>)^1/2	7.739

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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