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	hartrees
Energy at 0K	-463.811694
Energy at 298.15K	-463.813587
HF Energy	-463.811694
Nuclear repulsion energy	189.204029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1823	1735	495.53
2	A₁	945	900	78.78
3	A₁	830	790	14.69
4	A₁	536	511	96.93
5	B₁	818	778	17.20
6	B₁	168	160	43.56
7	B₂	1074	1023	588.24
8	B₂	686	653	0.81
9	B₂	491	467	3.94

Atom	y (Å)	z (Å)
C1	0.000	-0.702
O2	0.000	-1.910
Mg3	0.000	1.541
O4	1.132	0.063
O5	-1.132	0.063

	C1	O2	Mg3	O4	O5
C1		1.2080	2.2430	1.3664	1.3664
O2	1.2080		3.4510	2.2745	2.2745
Mg3	2.2430	3.4510		1.8623	1.8623
O4	1.3664	2.2745	1.8623		2.2649
O5	1.3664	2.2745	1.8623	2.2649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.572	C1	O5	Mg3	86.572
O2	C1	O4	124.024	O2	C1	O5	124.024
O4	C1	O5	111.952	O4	Mg3	O5	74.904

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

using model chemistry: mPW1PW91/6-31+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	0.777
2	O	-0.568
3	Mg	0.927
4	O	-0.568
5	O	-0.568

	x	y	z	Total
	0.000	0.000	12.139	12.139
CHELPG
AIM
ESP

<r²>	98.306
(<r²>)^1/2	9.915

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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