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	hartrees
Energy at 0K	-456.070832
Energy at 298.15K	-456.072798
HF Energy	-456.070832
Nuclear repulsion energy	191.700828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2087	1704	255.82
2	A₁	1055	862	53.86
3	A₁	1024	836	47.65
4	A₁	632	516	64.84
5	B₁	765	625	50.75
6	B₁	178	145	50.03
7	B₂	1337	1092	220.68
8	B₂	928	758	10.13
9	B₂	560	457	0.97

Atom	y (Å)	z (Å)
C1	0.000	-0.690
O2	0.000	-1.914
Mg3	0.000	1.458
O4	1.138	0.122
O5	-1.138	0.122

	C1	O2	Mg3	O4	O5
C1		1.2241	2.1473	1.3983	1.3983
O2	1.2241		3.3714	2.3327	2.3327
Mg3	2.1473	3.3714		1.7549	1.7549
O4	1.3983	2.3327	1.7549		2.2769
O5	1.3983	2.3327	1.7549	2.2769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.046	C1	O5	Mg3	85.046
O2	C1	O4	125.493	O2	C1	O5	125.493
O4	C1	O5	109.013	O4	Mg3	O5	80.896

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

using model chemistry: HF/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	0.283
2	O	-0.346
3	Mg	1.053
4	O	-0.495
5	O	-0.495

	x	y	z	Total
	0.000	0.000	10.562	10.562
CHELPG
AIM
ESP

<r²>	93.032
(<r²>)^1/2	9.645

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

using model chemistry: HF/STO-3G

States and conformations

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