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	hartrees
Energy at 0K	-463.499794
Energy at 298.15K	-463.501446
HF Energy	-463.499794
Nuclear repulsion energy	186.646301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1722	1702	347.19
2	A₁	868	858	55.83
3	A₁	778	769	3.69
4	A₁	504	498	69.23
5	B₁	752	743	5.53
6	B₁	160	158	35.68
7	B₂	897	887	555.68
8	B₂	621	613	7.43
9	B₂	404	399	7.47

Atom	y (Å)	z (Å)
C1	0.000	-0.707
O2	0.000	-1.929
Mg3	0.000	1.557
O4	1.155	0.062
O5	-1.155	0.062

	C1	O2	Mg3	O4	O5
C1		1.2221	2.2639	1.3879	1.3879
O2	1.2221		3.4860	2.3021	2.3021
Mg3	2.2639	3.4860		1.8893	1.8893
O4	1.3879	2.3021	1.8893		2.3107
O5	1.3879	2.3021	1.8893	2.3107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.950	C1	O5	Mg3	85.950
O2	C1	O4	123.650	O2	C1	O5	123.650
O4	C1	O5	112.701	O4	Mg3	O5	75.400

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

using model chemistry: PBEPBE/6-31+G**

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	0.674
2	O	-0.522
3	Mg	0.823
4	O	-0.488
5	O	-0.488

	x	y	z	Total
	0.000	0.000	11.146	11.146
CHELPG
AIM
ESP

<r²>	100.836
(<r²>)^1/2	10.042

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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