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	hartrees
Energy at 0K	-463.749201
Energy at 298.15K	-463.751135
HF Energy	-463.749201
Nuclear repulsion energy	189.964661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1897	1803	486.49
2	A₁	961	913	79.19
3	A₁	844	802	19.42
4	A₁	549	522	95.94
5	B₁	824	783	24.69
6	B₁	167	159	47.15
7	B₂	1105	1051	571.02
8	B₂	701	667	0.13
9	B₂	513	487	3.11

Atom	y (Å)	z (Å)
C1	0.000	-0.699
O2	0.000	-1.901
Mg3	0.000	1.525
O4	1.134	0.069
O5	-1.134	0.069

	C1	O2	Mg3	O4	O5
C1		1.2021	2.2245	1.3693	1.3693
O2	1.2021		3.4265	2.2729	2.2729
Mg3	2.2245	3.4265		1.8459	1.8459
O4	1.3693	2.2729	1.8459		2.2675
O5	1.3693	2.2729	1.8459	2.2675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.213	C1	O5	Mg3	86.213
O2	C1	O4	124.108	O2	C1	O5	124.108
O4	C1	O5	111.785	O4	Mg3	O5	75.790

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

using model chemistry: M06-2X/6-31G**

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	0.900
2	O	-0.522
3	Mg	1.010
4	O	-0.694
5	O	-0.694

	x	y	z	Total
	0.000	0.000	11.591	11.591
CHELPG
AIM
ESP

<r²>	96.976
(<r²>)^1/2	9.848

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

using model chemistry: M06-2X/6-31G**

States and conformations

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