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	hartrees
Energy at 0K	-53.240048
Energy at 298.15K	-53.241987
HF Energy	-53.240048
Nuclear repulsion energy	63.960546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1849	1666	687.46
2	A₁	962	867	99.97
3	A₁	833	751	30.72
4	A₁	529	477	123.30
5	B₁	835	752	80.35
6	B₁	176	158	63.80
7	B₂	1153	1039	657.07
8	B₂	724	653	3.79
9	B₂	504	454	12.63

Atom	y (Å)	z (Å)
C1	0.000	-0.745
O2	0.000	-1.963
Mg3	0.000	1.585
O4	1.122	0.072
O5	-1.122	0.072

	C1	O2	Mg3	O4	O5
C1		1.2182	2.3301	1.3877	1.3877
O2	1.2182		3.5483	2.3234	2.3234
Mg3	2.3301	3.5483		1.8846	1.8846
O4	1.3877	2.3234	1.8846		2.2446
O5	1.3877	2.3234	1.8846	2.2446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	89.477	C1	O5	Mg3	89.477
O2	C1	O4	126.027	O2	C1	O5	126.027
O4	C1	O5	107.947	O4	Mg3	O5	73.099

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

using model chemistry: HF/CEP-31G

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	0.419
2	O	-0.240
3	Mg	1.354
4	O	-0.767
5	O	-0.767

	x	y	z	Total
	0.000	0.000	14.300	14.300
CHELPG
AIM
ESP

<r²>	61.792
(<r²>)^1/2	7.861

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

using model chemistry: HF/CEP-31G

States and conformations

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