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	hartrees
Energy at 0K	-463.413959
Energy at 298.15K	-463.415680
HF Energy	-463.413959
Nuclear repulsion energy	185.249409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1781	1703	346.56
2	A₁	876	838	64.99
3	A₁	775	742	5.05
4	A₁	512	490	72.81
5	B₁	746	714	17.44
6	B₁	162	155	48.36
7	B₂	922	882	473.59
8	B₂	641	613	0.33
9	B₂	455	435	0.26

Atom	y (Å)	z (Å)
C1	0.000	-0.732
O2	0.000	-1.954
Mg3	0.000	1.577
O4	1.151	0.068
O5	-1.151	0.068

	C1	O2	Mg3	O4	O5
C1		1.2220	2.3091	1.4022	1.4022
O2	1.2220		3.5311	2.3272	2.3272
Mg3	2.3091	3.5311		1.8979	1.8979
O4	1.4022	2.3272	1.8979		2.3028
O5	1.4022	2.3272	1.8979	2.3028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	87.455	C1	O5	Mg3	87.455
O2	C1	O4	124.803	O2	C1	O5	124.803
O4	C1	O5	110.393	O4	Mg3	O5	74.698

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

using model chemistry: HSEh1PBE/6-31G

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	0.678
2	O	-0.436
3	Mg	1.163
4	O	-0.702
5	O	-0.702

	x	y	z	Total
	0.000	0.000	11.850	11.850
CHELPG
AIM
ESP

<r²>	102.165
(<r²>)^1/2	10.108

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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