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	hartrees
Energy at 0K	-461.999582
Energy at 298.15K	-462.001406
HF Energy	-461.999582
Nuclear repulsion energy	190.643403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1772	1758	360.23
2	A₁	916	909	58.72
3	A₁	815	809	7.55
4	A₁	527	522	75.07
5	B₁	786	780	7.50
6	B₁	165	163	36.54
7	B₂	988	981	546.51
8	B₂	666	661	4.98
9	B₂	460	456	0.65

Atom	y (Å)	z (Å)
C1	0.000	-0.689
O2	0.000	-1.893
Mg3	0.000	1.516
O4	1.134	0.067
O5	-1.134	0.067

	C1	O2	Mg3	O4	O5
C1		1.2038	2.2053	1.3627	1.3627
O2	1.2038		3.4090	2.2643	2.2643
Mg3	2.2053	3.4090		1.8396	1.8396
O4	1.3627	2.2643	1.8396		2.2670
O5	1.3627	2.2643	1.8396	2.2670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.679	C1	O5	Mg3	85.679
O2	C1	O4	123.717	O2	C1	O5	123.717
O4	C1	O5	112.566	O4	Mg3	O5	76.076

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

using model chemistry: SVWN/aug-cc-pVTZ

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	0.559
2	O	-0.468
3	Mg	0.748
4	O	-0.419
5	O	-0.419

	x	y	z	Total
	0.000	0.000	11.039	11.039
CHELPG
AIM
ESP

<r²>	97.085
(<r²>)^1/2	9.853

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

using model chemistry: SVWN/aug-cc-pVTZ

States and conformations

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