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	hartrees
Energy at 0K	-457.311510
Energy at 298.15K	-457.313165
HF Energy	-457.221154
Nuclear repulsion energy	187.125543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1832	1832	138.26
2	A₁	944	944	12.99
3	A₁	880	880	47.01
4	A₁	562	562	42.36
5	B₁	644	644	13.19
6	B₁	164	164	36.61
7	B₂	1074	1074	155.36
8	B₂	792	792	2.39
9	B₂	497	497	0.81

Atom	y (Å)	z (Å)
C1	0.000	-0.691
O2	0.000	-1.950
Mg3	0.000	1.467
O4	1.190	0.134
O5	-1.190	0.134

	C1	O2	Mg3	O4	O5
C1		1.2587	2.1581	1.4479	1.4479
O2	1.2587		3.4168	2.3998	2.3998
Mg3	2.1581	3.4168		1.7863	1.7863
O4	1.4479	2.3998	1.7863		2.3792
O5	1.4479	2.3998	1.7863	2.3792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	83.004	C1	O5	Mg3	83.004
O2	C1	O4	124.757	O2	C1	O5	124.757
O4	C1	O5	110.486	O4	Mg3	O5	83.507

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

using model chemistry: B2PLYP/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	0.153
2	O	-0.271
3	Mg	0.873
4	O	-0.378
5	O	-0.378

	x	y	z	Total
	0.000	0.000	8.952	8.952
CHELPG
AIM
ESP

<r²>	96.700
(<r²>)^1/2	9.834

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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