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	hartrees
Energy at 0K	-457.689510
Energy at 298.15K	-457.690946
HF Energy	-457.689510
Nuclear repulsion energy	183.892408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1747	1616	111.18
2	A₁	883	817	8.11
3	A₁	803	743	32.14
4	A₁	519	480	32.97
5	B₁	592	548	5.02
6	B₁	157	145	29.41
7	B₂	973	900	114.46
8	B₂	694	642	8.01
9	B₂	450	417	0.82

Atom	y (Å)	z (Å)
C1	0.000	-0.704
O2	0.000	-1.976
Mg3	0.000	1.484
O4	1.220	0.139
O5	-1.220	0.139

	C1	O2	Mg3	O4	O5
C1		1.2724	2.1884	1.4825	1.4825
O2	1.2724		3.4608	2.4418	2.4418
Mg3	2.1884	3.4608		1.8159	1.8159
O4	1.4825	2.4418	1.8159		2.4392
O5	1.4825	2.4418	1.8159	2.4392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	82.459	C1	O5	Mg3	82.459
O2	C1	O4	124.650	O2	C1	O5	124.650
O4	C1	O5	110.700	O4	Mg3	O5	84.382

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

using model chemistry: BLYP/STO-3G

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	0.098
2	O	-0.245
3	Mg	0.802
4	O	-0.328
5	O	-0.328

	x	y	z	Total
	0.000	0.000	8.302	8.302
CHELPG
AIM
ESP

<r²>	99.546
(<r²>)^1/2	9.977

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

using model chemistry: BLYP/STO-3G

States and conformations

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