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	hartrees
Energy at 0K	-54.348124
Energy at 298.15K	-54.349756
HF Energy	-54.348124
Nuclear repulsion energy	62.551833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1674	1631	380.61
2	A₁	822	801	73.36
3	A₁	735	716	4.02
4	A₁	485	473	80.83
5	B₁	707	689	15.95
6	B₁	163	159	52.27
7	B₂	864	842	497.35
8	B₂	607	591	3.12
9	B₂	439	428	2.59

Atom	y (Å)	z (Å)
C1	0.000	-0.748
O2	0.000	-1.986
Mg3	0.000	1.590
O4	1.163	0.081
O5	-1.163	0.081

	C1	O2	Mg3	O4	O5
C1		1.2387	2.3378	1.4277	1.4277
O2	1.2387		3.5765	2.3716	2.3716
Mg3	2.3378	3.5765		1.9055	1.9055
O4	1.4277	2.3716	1.9055		2.3258
O5	1.4277	2.3716	1.9055	2.3258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	87.851	C1	O5	Mg3	87.851
O2	C1	O4	125.461	O2	C1	O5	125.461
O4	C1	O5	109.079	O4	Mg3	O5	75.219

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

using model chemistry: B3LYP/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	0.230
2	O	-0.146
3	Mg	1.263
4	O	-0.673
5	O	-0.673

	x	y	z	Total
	0.000	0.000	12.480	12.480
CHELPG
AIM
ESP

<r²>	63.634
(<r²>)^1/2	7.977

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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