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	hartrees
Energy at 0K	-462.111874
Energy at 298.15K	-462.114004
HF Energy	-462.111874
Nuclear repulsion energy	192.973845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1986	1798	678.31
2	A₁	1045	946	97.64
3	A₁	925	838	45.30
4	A₁	587	532	117.49
5	B₁	940	851	48.77
6	B₁	180	163	48.71
7	B₂	1251	1133	648.60
8	B₂	773	700	0.79
9	B₂	559	506	8.88

Atom	y (Å)	z (Å)
C1	0.000	-0.696
O2	0.000	-1.878
Mg3	0.000	1.513
O4	1.105	0.065
O5	-1.105	0.065

	C1	O2	Mg3	O4	O5
C1		1.1818	2.2095	1.3417	1.3417
O2	1.1818		3.3914	2.2350	2.2350
Mg3	2.2095	3.3914		1.8220	1.8220
O4	1.3417	2.2350	1.8220		2.2101
O5	1.3417	2.2350	1.8220	2.2101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	87.212	C1	O5	Mg3	87.212
O2	C1	O4	124.549	O2	C1	O5	124.549
O4	C1	O5	110.901	O4	Mg3	O5	74.674

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

using model chemistry: HF/6-31G(2df,p)

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	0.756
2	O	-0.502
3	Mg	1.234
4	O	-0.744
5	O	-0.744

	x	y	z	Total
	0.000	0.000	12.602	12.602
CHELPG
AIM
ESP

<r²>	94.530
(<r²>)^1/2	9.723

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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