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	hartrees
Energy at 0K	-459.322310
Energy at 298.15K	-459.324064
HF Energy	-459.322310
Nuclear repulsion energy	187.491835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1825	1795	242.19
2	A₁	841	827	34.83
3	A₁	808	795	25.83
4	A₁	529	520	51.08
5	B₁	740	728	6.06
6	B₁	167	164	38.72
7	B₂	860	846	332.35
8	B₂	651	640	16.75
9	B₂	474	466	8.95

Atom	y (Å)	z (Å)
C1	0.000	-0.710
O2	0.000	-1.924
Mg3	0.000	1.515
O4	1.167	0.092
O5	-1.167	0.092

	C1	O2	Mg3	O4	O5
C1		1.2138	2.2247	1.4165	1.4165
O2	1.2138		3.4384	2.3297	2.3297
Mg3	2.2247	3.4384		1.8400	1.8400
O4	1.4165	2.3297	1.8400		2.3347
O5	1.4165	2.3297	1.8400	2.3347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.126	C1	O5	Mg3	85.126
O2	C1	O4	124.503	O2	C1	O5	124.503
O4	C1	O5	110.994	O4	Mg3	O5	78.754

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

using model chemistry: LSDA/3-21G

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	0.626
2	O	-0.444
3	Mg	0.686
4	O	-0.434
5	O	-0.434

	x	y	z	Total
	0.000	0.000	9.351	9.351
CHELPG
AIM
ESP

<r²>	99.402
(<r²>)^1/2	9.970

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

using model chemistry: LSDA/3-21G

States and conformations

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