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	hartrees
Energy at 0K	-463.872195
Energy at 298.15K	-463.874079
HF Energy	-463.872195
Nuclear repulsion energy	189.485113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1840	1757	534.61
2	A₁	950	907	98.54
3	A₁	828	790	14.31
4	A₁	529	505	114.88
5	B₁	827	790	23.97
6	B₁	160	153	53.67
7	B₂	1074	1026	556.17
8	B₂	686	655	0.20
9	B₂	485	463	10.09

Atom	y (Å)	z (Å)
C1	0.000	-0.709
O2	0.000	-1.908
Mg3	0.000	1.546
O4	1.126	0.060
O5	-1.126	0.060

	C1	O2	Mg3	O4	O5
C1		1.1987	2.2550	1.3633	1.3633
O2	1.1987		3.4537	2.2671	2.2671
Mg3	2.2550	3.4537		1.8640	1.8640
O4	1.3633	2.2671	1.8640		2.2512
O5	1.3633	2.2671	1.8640	2.2512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	87.202	C1	O5	Mg3	87.202
O2	C1	O4	124.349	O2	C1	O5	124.349
O4	C1	O5	111.302	O4	Mg3	O5	74.294

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

using model chemistry: wB97X-D/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	0.419
2	O	-0.373
3	Mg	1.374
4	O	-0.710
5	O	-0.710

	x	y	z	Total
	0.000	0.000	12.914	12.914
CHELPG
AIM
ESP

<r²>	98.011
(<r²>)^1/2	9.900

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

using model chemistry: wB97X-D/TZVP

States and conformations

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