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	hartrees
Energy at 0K	-53.387461
Energy at 298.15K	-53.389523
HF Energy	-53.387461
Nuclear repulsion energy	65.434393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1969	1768	804.96
2	A₁	1045	938	107.79
3	A₁	894	802	31.25
4	A₁	560	503	129.35
5	B₁	914	821	54.14
6	B₁	180	162	54.02
7	B₂	1265	1136	732.39
8	B₂	759	681	3.96
9	B₂	537	482	14.15

Atom	y (Å)	z (Å)
C1	0.000	-0.702
O2	0.000	-1.902
Mg3	0.000	1.530
O4	1.112	0.067
O5	-1.112	0.067

	C1	O2	Mg3	O4	O5
C1		1.2001	2.2321	1.3523	1.3523
O2	1.2001		3.4322	2.2616	2.2616
Mg3	2.2321	3.4322		1.8378	1.8378
O4	1.3523	2.2616	1.8378		2.2245
O5	1.3523	2.2616	1.8378	2.2245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	87.420	C1	O5	Mg3	87.420
O2	C1	O4	124.663	O2	C1	O5	124.663
O4	C1	O5	110.674	O4	Mg3	O5	74.487

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

using model chemistry: HF/CEP-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	0.374
2	O	-0.248
3	Mg	1.055
4	O	-0.590
5	O	-0.590

	x	y	z	Total
	0.000	0.000	13.418	13.418
CHELPG
AIM
ESP

<r²>	58.721
(<r²>)^1/2	7.663

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

using model chemistry: HF/CEP-31G*

States and conformations

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