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	hartrees
Energy at 0K	-457.460628
Energy at 298.15K	-457.462327
HF Energy	-457.460628
Nuclear repulsion energy	187.873715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1892	1671	150.05
2	A₁	953	841	10.35
3	A₁	909	803	48.66
4	A₁	568	502	44.27
5	B₁	667	589	13.45
6	B₁	164	145	37.09
7	B₂	1115	984	169.83
8	B₂	801	708	0.25
9	B₂	503	444	0.92

Atom	y (Å)	z (Å)
C1	0.000	-0.689
O2	0.000	-1.941
Mg3	0.000	1.469
O4	1.181	0.127
O5	-1.181	0.127

	C1	O2	Mg3	O4	O5
C1		1.2518	2.1582	1.4353	1.4353
O2	1.2518		3.4100	2.3813	2.3813
Mg3	2.1582	3.4100		1.7873	1.7873
O4	1.4353	2.3813	1.7873		2.3610
O5	1.4353	2.3813	1.7873	2.3610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	83.325	C1	O5	Mg3	83.325
O2	C1	O4	124.664	O2	C1	O5	124.664
O4	C1	O5	110.672	O4	Mg3	O5	82.678

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

using model chemistry: HSEh1PBE/STO-3G

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	0.146
2	O	-0.277
3	Mg	0.888
4	O	-0.379
5	O	-0.379

	x	y	z	Total
	0.000	0.000	9.220	9.220
CHELPG
AIM
ESP

<r²>	96.042
(<r²>)^1/2	9.800

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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