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	hartrees
Energy at 0K	-462.091696
Energy at 298.15K	-462.093795
HF Energy	-462.091696
Nuclear repulsion energy	191.675200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1958	1771	781.36
2	A₁	1054	953	109.61
3	A₁	910	823	41.91
4	A₁	578	523	132.47
5	B₁	933	843	55.37
6	B₁	180	163	50.28
7	B₂	1270	1148	688.05
8	B₂	761	688	2.37
9	B₂	538	486	14.10

Atom	y (Å)	z (Å)
C1	0.000	-0.703
O2	0.000	-1.894
Mg3	0.000	1.536
O4	1.104	0.059
O5	-1.104	0.059

	C1	O2	Mg3	O4	O5
C1		1.1910	2.2388	1.3415	1.3415
O2	1.1910		3.4298	2.2437	2.2437
Mg3	2.2388	3.4298		1.8434	1.8434
O4	1.3415	2.2437	1.8434		2.2076
O5	1.3415	2.2437	1.8434	2.2076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	87.852	C1	O5	Mg3	87.852
O2	C1	O4	124.634	O2	C1	O5	124.634
O4	C1	O5	110.731	O4	Mg3	O5	73.566

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

using model chemistry: HF/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	1.085
2	O	-0.690
3	Mg	1.135
4	O	-0.765
5	O	-0.765

	x	y	z	Total
	0.000	0.000	13.517	13.517
CHELPG
AIM
ESP

<r²>	96.307
(<r²>)^1/2	9.814

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

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

States and conformations

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