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	hartrees
Energy at 0K	-463.840376
Energy at 298.15K	-463.842320
HF Energy	-463.840376
Nuclear repulsion energy	189.932788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1876	1876	523.46
2	A₁	956	956	86.32
3	A₁	846	846	19.80
4	A₁	545	545	99.50
5	B₁	836	836	26.24
6	B₁	166	166	49.06
7	B₂	1082	1082	604.27
8	B₂	704	704	0.00
9	B₂	511	511	4.06

Atom	y (Å)	z (Å)
C1	0.000	-0.704
O2	0.000	-1.900
Mg3	0.000	1.534
O4	1.130	0.064
O5	-1.130	0.064

	C1	O2	Mg3	O4	O5
C1		1.1960	2.2381	1.3659	1.3659
O2	1.1960		3.4341	2.2656	2.2656
Mg3	2.2381	3.4341		1.8541	1.8541
O4	1.3659	2.2656	1.8541		2.2592
O5	1.3659	2.2656	1.8541	2.2592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.671	C1	O5	Mg3	86.671
O2	C1	O4	124.207	O2	C1	O5	124.207
O4	C1	O5	111.585	O4	Mg3	O5	75.073

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

using model chemistry: M06-2X/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	0.627
2	O	-0.396
3	Mg	0.953
4	O	-0.592
5	O	-0.592

	x	y	z	Total
	0.000	0.000	11.926	11.926
CHELPG
AIM
ESP

<r²>	97.282
(<r²>)^1/2	9.863

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

using model chemistry: M06-2X/6-311G**

States and conformations

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