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	hartrees
Energy at 0K	-460.877284
Energy at 298.15K	-460.878750
HF Energy	-460.877284
Nuclear repulsion energy	183.892173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1730	1714	217.77
2	A₁	791	784	42.20
3	A₁	753	746	1.73
4	A₁	498	493	39.78
5	B₁	692	685	0.69
6	B₁	144	143	30.71
7	B₂	709	702	322.99
8	B₂	591	586	15.90
9	B₂	382	378	56.87

Atom	y (Å)	z (Å)
C1	0.000	-0.732
O2	0.000	-1.959
Mg3	0.000	1.561
O4	1.181	0.083
O5	-1.181	0.083

	C1	O2	Mg3	O4	O5
C1		1.2271	2.2937	1.4349	1.4349
O2	1.2271		3.5208	2.3592	2.3592
Mg3	2.2937	3.5208		1.8921	1.8921
O4	1.4349	2.3592	1.8921		2.3617
O5	1.4349	2.3592	1.8921	2.3617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.006	C1	O5	Mg3	86.006
O2	C1	O4	124.621	O2	C1	O5	124.621
O4	C1	O5	110.758	O4	Mg3	O5	77.230

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

using model chemistry: PBEPBE/3-21G

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	0.647
2	O	-0.452
3	Mg	0.845
4	O	-0.520
5	O	-0.520

	x	y	z	Total
	0.000	0.000	9.252	9.252
CHELPG
AIM
ESP

<r²>	103.269
(<r²>)^1/2	10.162

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

using model chemistry: PBEPBE/3-21G

States and conformations

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