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	hartrees
Energy at 0K	-462.211724
Energy at 298.15K	-462.213851
HF Energy	-462.211724
Nuclear repulsion energy	193.210052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1951	1769	743.28
2	A₁	1050	952	106.14
3	A₁	923	837	46.89
4	A₁	584	529	128.02
5	B₁	938	851	47.74
6	B₁	181	164	49.91
7	B₂	1256	1138	675.24
8	B₂	771	699	1.00
9	B₂	553	502	13.40

Atom	y (Å)	z (Å)
C1	0.000	-0.698
O2	0.000	-1.881
Mg3	0.000	1.520
O4	1.100	0.063
O5	-1.100	0.063

	C1	O2	Mg3	O4	O5
C1		1.1827	2.2178	1.3378	1.3378
O2	1.1827		3.4005	2.2335	2.2335
Mg3	2.2178	3.4005		1.8256	1.8256
O4	1.3378	2.2335	1.8256		2.2004
O5	1.3378	2.2335	1.8256	2.2004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	87.610	C1	O5	Mg3	87.610
O2	C1	O4	124.672	O2	C1	O5	124.672
O4	C1	O5	110.657	O4	Mg3	O5	74.123

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

using model chemistry: HF/Def2TZVPP

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	0.765
2	O	-0.485
3	Mg	1.215
4	O	-0.747
5	O	-0.747

	x	y	z	Total
	0.000	0.000	13.054	13.054
CHELPG
AIM
ESP

<r²>	94.707
(<r²>)^1/2	9.732

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

using model chemistry: HF/Def2TZVPP

States and conformations

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