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	hartrees
Energy at 0K	-463.581627
Energy at 298.15K	-463.583172
HF Energy	-463.581627
Nuclear repulsion energy	186.891899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1723	1703	306.08
2	A₁	860	851	60.17
3	A₁	772	763	1.11
4	A₁	492	486	70.72
5	B₁	750	741	6.37
6	B₁	149	147	40.46
7	B₂	820	811	457.69
8	B₂	599	592	12.78
9	B₂	352	348	18.83

Atom	y (Å)	z (Å)
C1	0.000	-0.711
O2	0.000	-1.924
Mg3	0.000	1.559
O4	1.152	0.059
O5	-1.152	0.059

	C1	O2	Mg3	O4	O5
C1		1.2133	2.2699	1.3859	1.3859
O2	1.2133		3.4832	2.2937	2.2937
Mg3	2.2699	3.4832		1.8917	1.8917
O4	1.3859	2.2937	1.8917		2.3050
O5	1.3859	2.2937	1.8917	2.3050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.206	C1	O5	Mg3	86.206
O2	C1	O4	123.740	O2	C1	O5	123.740
O4	C1	O5	112.519	O4	Mg3	O5	75.068

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

using model chemistry: PBEPBEultrafine/TZVP

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	0.290
2	O	-0.296
3	Mg	1.201
4	O	-0.597
5	O	-0.597

	x	y	z	Total
	0.000	0.000	11.472	11.472
CHELPG
AIM
ESP

<r²>	100.480
(<r²>)^1/2	10.024

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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