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	hartrees
Energy at 0K	-461.855245
Energy at 298.15K	-461.856967
HF Energy	-461.855245
Nuclear repulsion energy	189.440236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1823	1789	260.86
2	A₁	918	901	43.65
3	A₁	806	791	3.84
4	A₁	530	520	56.88
5	B₁	768	753	6.40
6	B₁	164	160	35.33
7	B₂	966	948	517.02
8	B₂	643	631	15.24
9	B₂	396	388	22.85

Atom	y (Å)	z (Å)
C1	0.000	-0.693
O2	0.000	-1.902
Mg3	0.000	1.528
O4	1.141	0.065
O5	-1.141	0.065

	C1	O2	Mg3	O4	O5
C1		1.2095	2.2212	1.3695	1.3695
O2	1.2095		3.4307	2.2742	2.2742
Mg3	2.2212	3.4307		1.8555	1.8555
O4	1.3695	2.2742	1.8555		2.2815
O5	1.3695	2.2742	1.8555	2.2815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.658	C1	O5	Mg3	85.658
O2	C1	O4	123.596	O2	C1	O5	123.596
O4	C1	O5	112.808	O4	Mg3	O5	75.876

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

using model chemistry: LSDA/6-31G**

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	0.714
2	O	-0.439
3	Mg	0.835
4	O	-0.555
5	O	-0.555

	x	y	z	Total
	0.000	0.000	10.299	10.299
CHELPG
AIM
ESP

<r²>	97.699
(<r²>)^1/2	9.884

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

using model chemistry: LSDA/6-31G**

States and conformations

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