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	hartrees
Energy at 0K	-463.671548
Energy at 298.15K	-463.666330
HF Energy	-463.912410
Nuclear repulsion energy	189.694694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1824	1760	362.90
2	A₁	904	872	61.85
3	A₁	830	801	10.72
4	A₁	535	516	73.40
5	B₁	799	771	12.87
6	B₁	167	161	38.16
7	B₂	979	944	519.38
8	B₂	677	653	0.95
9	B₂	492	474	0.03

Atom	y (Å)	z (Å)
C1	0.000	-0.700
O2	0.000	-1.901
Mg3	0.000	1.522
O4	1.140	0.072
O5	-1.140	0.072

	C1	O2	Mg3	O4	O5
C1		1.2007	2.2218	1.3770	1.3770
O2	1.2007		3.4225	2.2785	2.2785
Mg3	2.2218	3.4225		1.8445	1.8445
O4	1.3770	2.2785	1.8445		2.2805
O5	1.3770	2.2785	1.8445	2.2805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.580	C1	O5	Mg3	85.580
O2	C1	O4	123.662	O2	C1	O5	123.662
O4	C1	O5	112.676	O4	Mg3	O5	76.165

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

using model chemistry: G4

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	0.544
2	O	-0.373
3	Mg	0.848
4	O	-0.509
5	O	-0.509

	x	y	z	Total
	0.000	0.000	10.616	10.616
CHELPG
AIM
ESP

<r²>	97.352
(<r²>)^1/2	9.867

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

using model chemistry: G4

States and conformations

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