CCCBDB listing of experimental data page 2

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Bond Type	Count
C=O	3
O-Ca	2

Atom 1	Atom 2
C1	O2
C1	O4
C1	O5
Ca3	O4
Ca3	O5

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	C_2v	True							C_2v	1	2
1	2	¹A^'	C_s	False							C_s	2	3

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	C_2v	True						C_2v	1	2
1	2	¹A^'	C_s	False						C_s	2	3

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Experimental data for CaCO3 (Calcium Carbonate)

Experimental data for CaCO₃ (Calcium Carbonate)