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	hartrees
Energy at 0K	-461.879496
Energy at 298.15K	-461.881179
HF Energy	-461.879496
Nuclear repulsion energy	189.084589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1807	1787	261.06
2	A₁	910	900	40.97
3	A₁	803	794	3.43
4	A₁	528	523	54.53
5	B₁	766	758	4.23
6	B₁	163	161	35.23
7	B₂	942	932	527.36
8	B₂	636	629	17.85
9	B₂	358	354	43.66

Atom	y (Å)	z (Å)
C1	0.000	-0.696
O2	0.000	-1.905
Mg3	0.000	1.535
O4	1.142	0.062
O5	-1.142	0.062

	C1	O2	Mg3	O4	O5
C1		1.2089	2.2303	1.3704	1.3704
O2	1.2089		3.4392	2.2741	2.2741
Mg3	2.2303	3.4392		1.8632	1.8632
O4	1.3704	2.2741	1.8632		2.2834
O5	1.3704	2.2741	1.8632	2.2834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	85.788	C1	O5	Mg3	85.788
O2	C1	O4	123.578	O2	C1	O5	123.578
O4	C1	O5	112.845	O4	Mg3	O5	75.580

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

using model chemistry: LSDA/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	0.274
2	O	-0.194
3	Mg	0.636
4	O	-0.358
5	O	-0.358

	x	y	z	Total
	0.000	0.000	10.255	10.255
CHELPG
AIM
ESP

<r²>	98.071
(<r²>)^1/2	9.903

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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