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	hartrees
Energy at 0K	-457.653402
Energy at 298.15K	-457.655063
HF Energy	-457.653402
Nuclear repulsion energy	187.261631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1866	1651	143.58
2	A₁	940	832	10.73
3	A₁	892	790	45.34
4	A₁	560	496	43.42
5	B₁	656	580	11.92
6	B₁	162	143	36.38
7	B₂	1090	965	163.00
8	B₂	786	695	0.78
9	B₂	496	439	0.96

Atom	y (Å)	z (Å)
C1	0.000	-0.691
O2	0.000	-1.946
Mg3	0.000	1.471
O4	1.187	0.129
O5	-1.187	0.129

	C1	O2	Mg3	O4	O5
C1		1.2553	2.1620	1.4424	1.4424
O2	1.2553		3.4173	2.3906	2.3906
Mg3	2.1620	3.4173		1.7915	1.7915
O4	1.4424	2.3906	1.7915		2.3733
O5	1.4424	2.3906	1.7915	2.3733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	83.160	C1	O5	Mg3	83.160
O2	C1	O4	124.643	O2	C1	O5	124.643
O4	C1	O5	110.713	O4	Mg3	O5	82.966

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

using model chemistry: B3PW91/STO-3G

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	0.140
2	O	-0.274
3	Mg	0.880
4	O	-0.373
5	O	-0.373

	x	y	z	Total
	0.000	0.000	9.138	9.138
CHELPG
AIM
ESP

<r²>	96.548
(<r²>)^1/2	9.826

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

using model chemistry: B3PW91/STO-3G

States and conformations

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