CCCBDB listing of experimental data page 2

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Bond Type	Count
H-C	6
C-C	5
C=C	4

Atom 1	Atom 2
C1	C2
C1	C5
C1	C6
C2	C3
C2	C4
C3	C4
C3	H9
C4	H10
C5	C7
C5	H11
C6	C8
C6	H12
C7	C8
C7	H13
C8	H14

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

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

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Atom 1	Atom 2
C1	C2
C1	C5
C1	C6
C2	C3
C2	C4
C3	C4
C3	H9
C4	H10
C5	C7
C5	H11
C6	C8
C6	H12
C7	C8
C7	H13
C8	H14

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Atom 1	Atom 2
C1	C2
C1	C5
C1	C6
C2	C3
C2	C4
C3	C4
C3	H9
C4	H10
C5	C7
C5	H11
C6	C8
C6	H12
C7	C8
C7	H13
C8	H14

Experimental data for C8H6 (Calicene)

Experimental data for C₈H₆ (Calicene)

Atom 1	Atom 2
C1	C2
C1	C5
C1	C6
C2	C3
C2	C4
C3	C4
C3	H9
C4	H10
C5	C7
C5	H11
C6	C8
C6	H12
C7	C8
C7	H13
C8	H14