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	hartrees
Energy at 0K	-457.429229
Energy at 298.15K	-457.430934
HF Energy	-457.429229
Nuclear repulsion energy	187.973900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1897	1673	151.47
2	A₁	954	842	10.35
3	A₁	913	806	49.46
4	A₁	569	502	44.72
5	B₁	670	591	13.78
6	B₁	164	144	37.29
7	B₂	1121	989	170.47
8	B₂	804	709	0.16
9	B₂	504	445	0.94

Atom	y (Å)	z (Å)
C1	0.000	-0.688
O2	0.000	-1.940
Mg3	0.000	1.468
O4	1.180	0.127
O5	-1.180	0.127

	C1	O2	Mg3	O4	O5
C1		1.2513	2.1569	1.4341	1.4341
O2	1.2513		3.4082	2.3796	2.3796
Mg3	2.1569	3.4082		1.7867	1.7867
O4	1.4341	2.3796	1.7867		2.3598
O5	1.4341	2.3796	1.7867	2.3598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	83.310	C1	O5	Mg3	83.310
O2	C1	O4	124.639	O2	C1	O5	124.639
O4	C1	O5	110.723	O4	Mg3	O5	82.658

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

using model chemistry: PBE1PBE/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	0.146
2	O	-0.277
3	Mg	0.890
4	O	-0.380
5	O	-0.380

	x	y	z	Total
	0.000	0.000	9.245	9.245
CHELPG
AIM
ESP

<r²>	95.948
(<r²>)^1/2	9.795

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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