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	hartrees
Energy at 0K	-463.891382
Energy at 298.15K	-463.893269
HF Energy	-463.891382
Nuclear repulsion energy	189.687111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1844	1771	438.44
2	A₁	940	902	71.54
3	A₁	828	795	10.47
4	A₁	534	513	84.37
5	B₁	821	788	17.87
6	B₁	165	158	44.43
7	B₂	1041	999	571.01
8	B₂	685	658	0.22
9	B₂	487	468	1.20

Atom	y (Å)	z (Å)
C1	0.000	-0.702
O2	0.000	-1.900
Mg3	0.000	1.539
O4	1.131	0.059
O5	-1.131	0.059

	C1	O2	Mg3	O4	O5
C1		1.1977	2.2411	1.3639	1.3639
O2	1.1977		3.4387	2.2625	2.2625
Mg3	2.2411	3.4387		1.8625	1.8625
O4	1.3639	2.2625	1.8625		2.2628
O5	1.3639	2.2625	1.8625	2.2628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	86.540	C1	O5	Mg3	86.540
O2	C1	O4	123.948	O2	C1	O5	123.948
O4	C1	O5	112.105	O4	Mg3	O5	74.815

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

using model chemistry: B1B95/6-311G**

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	0.566
2	O	-0.371
3	Mg	0.909
4	O	-0.552
5	O	-0.552

	x	y	z	Total
	0.000	0.000	11.589	11.589
CHELPG
AIM
ESP

<r²>	97.497
(<r²>)^1/2	9.874

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

using model chemistry: B1B95/6-311G**

States and conformations

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