CCCBDB listing of experimental data page 2

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Bond Type	Count
C-C	9
H-C	6

Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C1	H7
C2	C3
C2	C6
C2	H8
C3	C5
C3	H9
C4	C5
C4	C6
C4	H10
C5	C6
C5	H11
C6	H12

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^'	D_3h	True							D_3h	0	1

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^'	D_3h	True						D_3h	0	1

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C1	H7
C2	C3
C2	C6
C2	H8
C3	C5
C3	H9
C4	C5
C4	C6
C4	H10
C5	C6
C5	H11
C6	H12

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Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C1	H7
C2	C3
C2	C6
C2	H8
C3	C5
C3	H9
C4	C5
C4	C6
C4	H10
C5	C6
C5	H11
C6	H12

Experimental data for C6H6 (Prismane)

Experimental data for C₆H₆ (Prismane)

Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C1	H7
C2	C3
C2	C6
C2	H8
C3	C5
C3	H9
C4	C5
C4	C6
C4	H10
C5	C6
C5	H11
C6	H12