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	hartrees
Energy at 0K	-462.818915
Energy at 298.15K	-462.820842
HF Energy	-462.107693
Nuclear repulsion energy	188.367116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1867	1867	463.43
2	A₁	929	929	90.93
3	A₁	833	833	12.22
4	A₁	547	547	94.31
5	B₁	827	827	20.40
6	B₁	168	168	48.00
7	B₂	1070	1070	527.91
8	B₂	696	696	0.02
9	B₂	508	508	2.35

Atom	y (Å)	z (Å)
C1	0.000	-0.707
O2	0.000	-1.913
Mg3	0.000	1.545
O4	1.142	0.063
O5	-1.142	0.063

	C1	O2	Mg3	O4	O5
C1		1.2058	2.2527	1.3771	1.3771
O2	1.2058		3.4585	2.2820	2.2820
Mg3	2.2527	3.4585		1.8713	1.8713
O4	1.3771	2.2820	1.8713		2.2833
O5	1.3771	2.2820	1.8713	2.2833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.402	C1	O5	Mg3	86.402
O2	C1	O4	123.998	O2	C1	O5	123.998
O4	C1	O5	112.004	O4	Mg3	O5	75.192

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

using model chemistry: CCSD=FULL/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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All results from a given calculation for MgCO3 (Magnesium Carbonate)

using model chemistry: CCSD=FULL/cc-pVDZ

States and conformations

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