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	hartrees
Energy at 0K	-463.849434
Energy at 298.15K	-463.851349
HF Energy	-463.849434
Nuclear repulsion energy	189.966896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1861	1761	535.54
2	A₁	961	909	95.94
3	A₁	840	795	16.28
4	A₁	536	507	110.67
5	B₁	831	786	28.19
6	B₁	161	152	52.84
7	B₂	1082	1024	574.24
8	B₂	696	659	0.00
9	B₂	500	473	9.15

Atom	y (Å)	z (Å)
C1	0.000	-0.707
O2	0.000	-1.904
Mg3	0.000	1.537
O4	1.125	0.064
O5	-1.125	0.064

	C1	O2	Mg3	O4	O5
C1		1.1967	2.2446	1.3636	1.3636
O2	1.1967		3.4413	2.2666	2.2666
Mg3	2.2446	3.4413		1.8537	1.8537
O4	1.3636	2.2666	1.8537		2.2494
O5	1.3636	2.2666	1.8537	2.2494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	87.080	C1	O5	Mg3	87.080
O2	C1	O4	124.434	O2	C1	O5	124.434
O4	C1	O5	111.131	O4	Mg3	O5	74.708

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

using model chemistry: M06-2X/TZVP

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	0.524
2	O	-0.401
3	Mg	1.366
4	O	-0.744
5	O	-0.744

	x	y	z	Total
	0.000	0.000	12.665	12.665
CHELPG
AIM
ESP

<r²>	97.679
(<r²>)^1/2	9.883

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

using model chemistry: M06-2X/TZVP

States and conformations

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