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	hartrees
Energy at 0K	-461.238868
Energy at 298.15K	-461.240270
HF Energy	-461.238868
Nuclear repulsion energy	183.250489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1705	1696	224.08
2	A₁	763	759	40.29
3	A₁	746	742	5.87
4	A₁	489	486	38.42
5	B₁	678	674	0.77
6	B₁	144	143	28.84
7	B₂	687	683	243.09
8	B₂	558	555	52.36
9	B₂	377	375	72.62

Atom	y (Å)	z (Å)
C1	0.000	-0.738
O2	0.000	-1.965
Mg3	0.000	1.562
O4	1.188	0.088
O5	-1.188	0.088

	C1	O2	Mg3	O4	O5
C1		1.2270	2.3004	1.4468	1.4468
O2	1.2270		3.5274	2.3719	2.3719
Mg3	2.3004	3.5274		1.8934	1.8934
O4	1.4468	2.3719	1.8934		2.3758
O5	1.4468	2.3719	1.8934	2.3758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.956	C1	O5	Mg3	85.956
O2	C1	O4	124.813	O2	C1	O5	124.813
O4	C1	O5	110.374	O4	Mg3	O5	77.715

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

using model chemistry: BLYP/3-21G

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	0.645
2	O	-0.442
3	Mg	0.810
4	O	-0.507
5	O	-0.507

	x	y	z	Total
	0.000	0.000	8.871	8.871
CHELPG
AIM
ESP

<r²>	103.949
(<r²>)^1/2	10.196

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

using model chemistry: BLYP/3-21G

States and conformations

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