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	hartrees
Energy at 0K	-463.513662
Energy at 298.15K	-463.515187
HF Energy	-463.513662
Nuclear repulsion energy	186.723272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1749	1739	265.87
2	A₁	858	853	40.69
3	A₁	777	773	1.99
4	A₁	507	505	50.43
5	B₁	744	739	2.77
6	B₁	158	157	33.61
7	B₂	842	837	521.94
8	B₂	610	606	12.03
9	B₂	304	302	82.53

Atom	y (Å)	z (Å)
C1	0.000	-0.706
O2	0.000	-1.924
Mg3	0.000	1.552
O4	1.160	0.063
O5	-1.160	0.063

	C1	O2	Mg3	O4	O5
C1		1.2177	2.2583	1.3915	1.3915
O2	1.2177		3.4759	2.3004	2.3004
Mg3	2.2583	3.4759		1.8877	1.8877
O4	1.3915	2.3004	1.8877		2.3196
O5	1.3915	2.3004	1.8877	2.3196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.634	C1	O5	Mg3	85.634
O2	C1	O4	123.543	O2	C1	O5	123.543
O4	C1	O5	112.915	O4	Mg3	O5	75.818

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	0.330
2	O	-0.225
3	Mg	0.676
4	O	-0.390
5	O	-0.390

	x	y	z	Total
	0.000	0.000	10.095	10.095
CHELPG
AIM
ESP

<r²>	100.163
(<r²>)^1/2	10.008

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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