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	hartrees
Energy at 0K	-457.734944
Energy at 298.15K	-457.736639
HF Energy	-457.734944
Nuclear repulsion energy	188.085055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1893	1672	149.54
2	A₁	954	843	12.25
3	A₁	907	801	48.43
4	A₁	565	498	45.60
5	B₁	667	589	14.15
6	B₁	163	144	37.68
7	B₂	1115	984	170.70
8	B₂	803	709	0.28
9	B₂	503	444	1.01

Atom	y (Å)	z (Å)
C1	0.000	-0.688
O2	0.000	-1.939
Mg3	0.000	1.466
O4	1.180	0.127
O5	-1.180	0.127

	C1	O2	Mg3	O4	O5
C1		1.2509	2.1539	1.4342	1.4342
O2	1.2509		3.4048	2.3792	2.3792
Mg3	2.1539	3.4048		1.7847	1.7847
O4	1.4342	2.3792	1.7847		2.3602
O5	1.4342	2.3792	1.7847	2.3602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	83.240	C1	O5	Mg3	83.240
O2	C1	O4	124.632	O2	C1	O5	124.632
O4	C1	O5	110.736	O4	Mg3	O5	82.785

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

using model chemistry: B1B95/STO-3G

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	0.156
2	O	-0.281
3	Mg	0.894
4	O	-0.385
5	O	-0.385

	x	y	z	Total
	0.000	0.000	9.251	9.251
CHELPG
AIM
ESP

<r²>	95.837
(<r²>)^1/2	9.790

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

using model chemistry: B1B95/STO-3G

States and conformations

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