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	hartrees
Energy at 0K	-462.211137
Energy at 298.15K	-462.213266
HF Energy	-462.211137
Nuclear repulsion energy	192.990238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1939	1765	761.89
2	A₁	1049	955	107.91
3	A₁	920	838	44.36
4	A₁	582	530	129.39
5	B₁	938	854	45.78
6	B₁	179	163	48.65
7	B₂	1258	1145	671.63
8	B₂	771	702	1.19
9	B₂	553	503	13.83

Atom	y (Å)	z (Å)
C1	0.000	-0.695
O2	0.000	-1.880
Mg3	0.000	1.516
O4	1.102	0.063
O5	-1.102	0.063

	C1	O2	Mg3	O4	O5
C1		1.1845	2.2119	1.3380	1.3380
O2	1.1845		3.3964	2.2341	2.2341
Mg3	2.2119	3.3964		1.8237	1.8237
O4	1.3380	2.2341	1.8237		2.2041
O5	1.3380	2.2341	1.8237	2.2041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	87.374	C1	O5	Mg3	87.374
O2	C1	O4	124.551	O2	C1	O5	124.551
O4	C1	O5	110.897	O4	Mg3	O5	74.355

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

using model chemistry: HF/aug-cc-pVTZ

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	0.544
2	O	-0.546
3	Mg	1.172
4	O	-0.585
5	O	-0.585

	x	y	z	Total
	0.000	0.000	13.156	13.156
CHELPG
AIM
ESP

<r²>	94.926
(<r²>)^1/2	9.743

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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