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	hartrees
Energy at 0K	-264.505794
Energy at 298.15K	-264.507549
HF Energy	-264.505794
Nuclear repulsion energy	114.703867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1777	1777	490.79
2	A₁	870	870	89.70
3	A₁	779	779	14.11
4	A₁	510	510	99.14
5	B₁	752	752	26.86
6	B₁	174	174	57.76
7	B₂	942	942	526.92
8	B₂	649	649	1.65
9	B₂	470	470	4.40

Atom	y (Å)	z (Å)
C1	0.000	-0.739
O2	0.000	-1.962
Mg3	0.000	1.567
O4	1.145	0.083
O5	-1.145	0.083

	C1	O2	Mg3	O4	O5
C1		1.2236	2.3058	1.4088	1.4088
O2	1.2236		3.5294	2.3434	2.3434
Mg3	2.3058	3.5294		1.8746	1.8746
O4	1.4088	2.3434	1.8746		2.2893
O5	1.4088	2.3434	1.8746	2.2893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	88.025	C1	O5	Mg3	88.025
O2	C1	O4	125.658	O2	C1	O5	125.658
O4	C1	O5	108.684	O4	Mg3	O5	75.266

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

using model chemistry: wB97X-D/LANL2DZ

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	0.381
2	O	-0.271
3	Mg	1.263
4	O	-0.686
5	O	-0.686

	x	y	z	Total
	0.000	0.000	12.619	12.619
CHELPG
AIM
ESP

<r²>	76.113
(<r²>)^1/2	8.724

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

using model chemistry: wB97X-D/LANL2DZ

States and conformations

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