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	hartrees
Energy at 0K	-463.648911
Energy at 298.15K	-463.650833
HF Energy	-463.648911
Nuclear repulsion energy	190.521341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1821	1750	435.48
2	A₁	939	903	71.67
3	A₁	841	808	13.22
4	A₁	540	519	88.26
5	B₁	824	792	14.31
6	B₁	166	159	40.89
7	B₂	1054	1013	556.69
8	B₂	696	669	0.20
9	B₂	504	484	1.92

Atom	y (Å)	z (Å)
C1	0.000	-0.694
O2	0.000	-1.894
Mg3	0.000	1.520
O4	1.132	0.067
O5	-1.132	0.067

	C1	O2	Mg3	O4	O5
C1		1.2002	2.2141	1.3638	1.3638
O2	1.2002		3.4143	2.2640	2.2640
Mg3	2.2141	3.4143		1.8425	1.8425
O4	1.3638	2.2640	1.8425		2.2642
O5	1.3638	2.2640	1.8425	2.2642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.979	C1	O5	Mg3	85.979
O2	C1	O4	123.890	O2	C1	O5	123.890
O4	C1	O5	112.220	O4	Mg3	O5	75.822

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.437
2	O	-0.324
3	Mg	0.720
4	O	-0.417
5	O	-0.417

	x	y	z	Total
	0.000	0.000	11.473	11.473
CHELPG
AIM
ESP

<r²>	96.701
(<r²>)^1/2	9.834

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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