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	hartrees
Energy at 0K	-461.883526
Energy at 298.15K	-461.885317
HF Energy	-461.883526
Nuclear repulsion energy	190.656178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1823	1794	261.96
2	A₁	914	899	43.80
3	A₁	819	806	6.10
4	A₁	532	523	60.40
5	B₁	777	765	5.99
6	B₁	165	162	34.82
7	B₂	967	952	527.06
8	B₂	666	655	5.32
9	B₂	438	431	10.59

Atom	y (Å)	z (Å)
C1	0.000	-0.689
O2	0.000	-1.891
Mg3	0.000	1.511
O4	1.137	0.070
O5	-1.137	0.070

	C1	O2	Mg3	O4	O5
C1		1.2021	2.2002	1.3670	1.3670
O2	1.2021		3.4023	2.2668	2.2668
Mg3	2.2002	3.4023		1.8358	1.8358
O4	1.3670	2.2668	1.8358		2.2741
O5	1.3670	2.2668	1.8358	2.2741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.450	C1	O5	Mg3	85.450
O2	C1	O4	123.720	O2	C1	O5	123.720
O4	C1	O5	112.560	O4	Mg3	O5	76.540

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

using model chemistry: LSDA/6-31G(2df,p)

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	0.466
2	O	-0.325
3	Mg	0.713
4	O	-0.427
5	O	-0.427

	x	y	z	Total
	0.000	0.000	10.066	10.066
CHELPG
AIM
ESP

<r²>	96.586
(<r²>)^1/2	9.828

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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