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	hartrees
Energy at 0K	-463.763207
Energy at 298.15K	-463.765067
HF Energy	-463.763207
Nuclear repulsion energy	188.738760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1831	1767	389.63
2	A₁	919	886	59.97
3	A₁	819	790	8.01
4	A₁	534	516	74.93
5	B₁	801	773	12.80
6	B₁	165	159	42.47
7	B₂	1021	985	541.33
8	B₂	673	650	0.10
9	B₂	483	466	0.00

Atom	y (Å)	z (Å)
C1	0.000	-0.703
O2	0.000	-1.909
Mg3	0.000	1.540
O4	1.141	0.063
O5	-1.141	0.063

	C1	O2	Mg3	O4	O5
C1		1.2060	2.2438	1.3743	1.3743
O2	1.2060		3.4498	2.2786	2.2786
Mg3	2.2438	3.4498		1.8664	1.8664
O4	1.3743	2.2786	1.8664		2.2815
O5	1.3743	2.2786	1.8664	2.2815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.223	C1	O5	Mg3	86.223
O2	C1	O4	123.898	O2	C1	O5	123.898
O4	C1	O5	112.203	O4	Mg3	O5	75.350

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

using model chemistry: B3PW91/cc-pVDZ

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	0.403
2	O	-0.271
3	Mg	0.793
4	O	-0.462
5	O	-0.462

	x	y	z	Total
	0.000	0.000	11.189	11.189
CHELPG
AIM
ESP

<r²>	98.150
(<r²>)^1/2	9.907

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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