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	hartrees
Energy at 0K	-461.997722
Energy at 298.15K	-461.999680
HF Energy	-461.997722
Nuclear repulsion energy	187.116338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1884	1697	700.12
2	A₁	962	867	101.73
3	A₁	843	759	37.74
4	A₁	559	504	122.64
5	B₁	856	771	86.65
6	B₁	185	167	65.93
7	B₂	1121	1009	621.52
8	B₂	706	636	1.72
9	B₂	489	440	13.53

Atom	y (Å)	z (Å)
C1	0.000	-0.748
O2	0.000	-1.956
Mg3	0.000	1.584
O4	1.113	0.071
O5	-1.113	0.071

	C1	O2	Mg3	O4	O5
C1		1.2080	2.3312	1.3813	1.3813
O2	1.2080		3.5392	2.3117	2.3117
Mg3	2.3312	3.5392		1.8782	1.8782
O4	1.3813	2.3117	1.8782		2.2257
O5	1.3813	2.3117	1.8782	2.2257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	89.988	C1	O5	Mg3	89.988
O2	C1	O4	126.324	O2	C1	O5	126.324
O4	C1	O5	107.352	O4	Mg3	O5	72.672

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

using model chemistry: HF/SDD

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	0.690
2	O	-0.414
3	Mg	1.436
4	O	-0.856
5	O	-0.856

	x	y	z	Total
	0.000	0.000	14.183	14.183
CHELPG
AIM
ESP

<r²>	101.250
(<r²>)^1/2	10.062

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

using model chemistry: HF/SDD

States and conformations

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