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	hartrees
Energy at 0K	-463.820679
Energy at 298.15K	-463.822633
HF Energy	-463.820679
Nuclear repulsion energy	190.081654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1835	1835	556.23
2	A₁	951	951	85.95
3	A₁	847	847	23.13
4	A₁	543	543	108.17
5	B₁	824	824	18.70
6	B₁	171	171	45.17
7	B₂	1101	1101	601.90
8	B₂	703	703	0.29
9	B₂	515	515	6.15

Atom	y (Å)	z (Å)
C1	0.000	-0.698
O2	0.000	-1.902
Mg3	0.000	1.523
O4	1.133	0.070
O5	-1.133	0.070

	C1	O2	Mg3	O4	O5
C1		1.2044	2.2210	1.3683	1.3683
O2	1.2044		3.4255	2.2743	2.2743
Mg3	2.2210	3.4255		1.8424	1.8424
O4	1.3683	2.2743	1.8424		2.2651
O5	1.3683	2.2743	1.8424	2.2651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.204	C1	O5	Mg3	86.204
O2	C1	O4	124.134	O2	C1	O5	124.134
O4	C1	O5	111.731	O4	Mg3	O5	75.861

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

using model chemistry: M06-2X/aug-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	0.661
2	O	-0.506
3	Mg	1.411
4	O	-0.783
5	O	-0.783

	x	y	z	Total
	0.000	0.000	12.086	12.086
CHELPG
AIM
ESP

<r²>	97.284
(<r²>)^1/2	9.863

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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