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	hartrees
Energy at 0K	-463.816430
Energy at 298.15K	-463.818294
HF Energy	-463.816430
Nuclear repulsion energy	189.016226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1820	1752	416.62
2	A₁	922	888	68.04
3	A₁	822	792	8.50
4	A₁	532	512	81.98
5	B₁	812	782	15.95
6	B₁	163	157	43.85
7	B₂	1010	973	563.89
8	B₂	678	653	0.03
9	B₂	486	468	0.44

Atom	y (Å)	z (Å)
C1	0.000	-0.705
O2	0.000	-1.906
Mg3	0.000	1.543
O4	1.136	0.060
O5	-1.136	0.060

	C1	O2	Mg3	O4	O5
C1		1.2013	2.2483	1.3696	1.3696
O2	1.2013		3.4496	2.2708	2.2708
Mg3	2.2483	3.4496		1.8686	1.8686
O4	1.3696	2.2708	1.8686		2.2723
O5	1.3696	2.2708	1.8686	2.2723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.499	C1	O5	Mg3	86.499
O2	C1	O4	123.946	O2	C1	O5	123.946
O4	C1	O5	112.107	O4	Mg3	O5	74.895

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

using model chemistry: B3PW91/6-311G**

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	0.569
2	O	-0.373
3	Mg	0.916
4	O	-0.556
5	O	-0.556

	x	y	z	Total
	0.000	0.000	11.546	11.546
CHELPG
AIM
ESP

<r²>	98.121
(<r²>)^1/2	9.906

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

using model chemistry: B3PW91/6-311G**

States and conformations

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