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	hartrees
Energy at 0K	-463.860708
Energy at 298.15K	-463.862616
HF Energy	-463.860708
Nuclear repulsion energy	189.462135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1855	1855	516.54
2	A₁	948	948	85.70
3	A₁	835	835	17.79
4	A₁	541	541	101.70
5	B₁	833	833	22.57
6	B₁	166	166	49.34
7	B₂	1077	1077	589.38
8	B₂	694	694	0.03
9	B₂	496	496	4.60

Atom	y (Å)	z (Å)
C1	0.000	-0.706
O2	0.000	-1.905
Mg3	0.000	1.543
O4	1.130	0.060
O5	-1.130	0.060

	C1	O2	Mg3	O4	O5
C1		1.1985	2.2492	1.3651	1.3651
O2	1.1985		3.4477	2.2665	2.2665
Mg3	2.2492	3.4477		1.8641	1.8641
O4	1.3651	2.2665	1.8641		2.2593
O5	1.3651	2.2665	1.8641	2.2593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.851	C1	O5	Mg3	86.851
O2	C1	O4	124.153	O2	C1	O5	124.153
O4	C1	O5	111.694	O4	Mg3	O5	74.604

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

using model chemistry: wB97X-D/6-311G*

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	0.557
2	O	-0.376
3	Mg	0.964
4	O	-0.572
5	O	-0.572

	x	y	z	Total
	0.000	0.000	12.154	12.154
CHELPG
AIM
ESP

<r²>	97.665
(<r²>)^1/2	9.883

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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