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	hartrees
Energy at 0K	-461.959562
Energy at 298.15K	-461.961265
HF Energy	-461.959562
Nuclear repulsion energy	189.447782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1786	1765	318.16
2	A₁	913	902	61.75
3	A₁	799	790	3.57
4	A₁	512	506	76.98
5	B₁	775	766	8.61
6	B₁	154	152	41.44
7	B₂	932	921	485.13
8	B₂	629	622	13.69
9	B₂	405	401	4.14

Atom	y (Å)	z (Å)
C1	0.000	-0.700
O2	0.000	-1.903
Mg3	0.000	1.540
O4	1.134	0.059
O5	-1.134	0.059

	C1	O2	Mg3	O4	O5
C1		1.2028	2.2394	1.3641	1.3641
O2	1.2028		3.4422	2.2656	2.2656
Mg3	2.2394	3.4422		1.8648	1.8648
O4	1.3641	2.2656	1.8648		2.2673
O5	1.3641	2.2656	1.8648	2.2673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.354	C1	O5	Mg3	86.354
O2	C1	O4	123.793	O2	C1	O5	123.793
O4	C1	O5	112.414	O4	Mg3	O5	74.878

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

using model chemistry: LSDA/TZVP

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	0.318
2	O	-0.308
3	Mg	1.217
4	O	-0.614
5	O	-0.614

	x	y	z	Total
	0.000	0.000	11.586	11.586
CHELPG
AIM
ESP

<r²>	98.306
(<r²>)^1/2	9.915

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

using model chemistry: LSDA/TZVP

States and conformations

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