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	hartrees
Energy at 0K	-463.568741
Energy at 298.15K	-463.570633
HF Energy	-463.568741
Nuclear repulsion energy	189.465476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1840	1765	429.32
2	A₁	939	901	69.22
3	A₁	831	797	10.11
4	A₁	537	515	82.95
5	B₁	821	788	17.16
6	B₁	163	156	43.87
7	B₂	1040	997	562.07
8	B₂	688	660	0.35
9	B₂	491	471	0.76

Atom	y (Å)	z (Å)
C1	0.000	-0.703
O2	0.000	-1.902
Mg3	0.000	1.541
O4	1.133	0.059
O5	-1.133	0.059

	C1	O2	Mg3	O4	O5
C1		1.1997	2.2430	1.3651	1.3651
O2	1.1997		3.4427	2.2650	2.2650
Mg3	2.2430	3.4427		1.8649	1.8649
O4	1.3651	2.2650	1.8649		2.2657
O5	1.3651	2.2650	1.8649	2.2657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.509	C1	O5	Mg3	86.509
O2	C1	O4	123.915	O2	C1	O5	123.915
O4	C1	O5	112.170	O4	Mg3	O5	74.812

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

using model chemistry: PBE1PBE/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	0.571
2	O	-0.375
3	Mg	0.919
4	O	-0.557
5	O	-0.557

	x	y	z	Total
	0.000	0.000	11.568	11.568
CHELPG
AIM
ESP

<r²>	97.753
(<r²>)^1/2	9.887

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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