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	hartrees
Energy at 0K	-463.976768
Energy at 298.15K	-463.978531
HF Energy	-463.976768
Nuclear repulsion energy	188.185007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1773	1708	394.28
2	A₁	895	863	75.00
3	A₁	799	770	4.90
4	A₁	510	492	87.08
5	B₁	782	754	13.14
6	B₁	154	149	47.08
7	B₂	947	913	516.65
8	B₂	651	627	0.01
9	B₂	458	442	1.12

Atom	y (Å)	z (Å)
C1	0.000	-0.710
O2	0.000	-1.916
Mg3	0.000	1.550
O4	1.140	0.062
O5	-1.140	0.062

	C1	O2	Mg3	O4	O5
C1		1.2060	2.2600	1.3769	1.3769
O2	1.2060		3.4659	2.2828	2.2828
Mg3	2.2600	3.4659		1.8749	1.8749
O4	1.3769	2.2828	1.8749		2.2807
O5	1.3769	2.2828	1.8749	2.2807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.626	C1	O5	Mg3	86.626
O2	C1	O4	124.086	O2	C1	O5	124.086
O4	C1	O5	111.828	O4	Mg3	O5	74.919

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

using model chemistry: TPSSh/TZVP

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	0.402
2	O	-0.346
3	Mg	1.290
4	O	-0.673
5	O	-0.673

	x	y	z	Total
	0.000	0.000	12.085	12.085
CHELPG
AIM
ESP

<r²>	99.165
(<r²>)^1/2	9.958

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

using model chemistry: TPSSh/TZVP

States and conformations

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