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	hartrees
Energy at 0K	-463.880980
Energy at 298.15K	-463.882865
HF Energy	-463.880980
Nuclear repulsion energy	189.485787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1839	1756	440.71
2	A₁	938	895	71.39
3	A₁	832	794	11.18
4	A₁	537	513	85.93
5	B₁	823	786	18.26
6	B₁	164	156	44.96
7	B₂	1041	994	572.31
8	B₂	688	657	0.08
9	B₂	494	471	1.13

Atom	y (Å)	z (Å)
C1	0.000	-0.704
O2	0.000	-1.903
Mg3	0.000	1.541
O4	1.132	0.060
O5	-1.132	0.060

	C1	O2	Mg3	O4	O5
C1		1.1990	2.2443	1.3653	1.3653
O2	1.1990		3.4433	2.2653	2.2653
Mg3	2.2443	3.4433		1.8642	1.8642
O4	1.3653	2.2653	1.8642		2.2641
O5	1.3653	2.2653	1.8642	2.2641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.596	C1	O5	Mg3	86.596
O2	C1	O4	123.987	O2	C1	O5	123.987
O4	C1	O5	112.027	O4	Mg3	O5	74.781

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

using model chemistry: mPW1PW91/6-311G*

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	0.582
2	O	-0.380
3	Mg	0.929
4	O	-0.565
5	O	-0.565

	x	y	z	Total
	0.000	0.000	11.674	11.674
CHELPG
AIM
ESP

<r²>	97.710
(<r²>)^1/2	9.885

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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