CCCBDB listing of experimental data page 2

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Bond Type	Count
C-C	2
C:C	6
C=O	1
H-C	8

Atom 1	Atom 2
C1	C2
C1	H10
C1	H11
C1	H12
C2	C3
C2	O4
C3	C5
C3	C6
C5	C7
C5	H13
C6	C8
C6	H14
C7	C9
C7	H15
C8	C9
C8	H16
C9	H17

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	¹A	C₁	True				3.020	NSRDS-NBS10	DT	C₁	3	5
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	¹A	C₁	True						C₁	3	5
1	2	¹A^'	C_s	False						C_s	2	3

squib	reference	DOI
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

	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	H10
C1	H11
C1	H12
C2	C3
C2	O4
C3	C5
C3	C6
C5	C7
C5	H13
C6	C8
C6	H14
C7	C9
C7	H15
C8	C9
C8	H16
C9	H17

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Atom 1	Atom 2
C1	C2
C1	H10
C1	H11
C1	H12
C2	C3
C2	O4
C3	C5
C3	C6
C5	C7
C5	H13
C6	C8
C6	H14
C7	C9
C7	H15
C8	C9
C8	H16
C9	H17

Experimental data for CH3COC6H5 (acetophenone)

Experimental data for CH₃COC₆H₅ (acetophenone)

Atom 1	Atom 2
C1	C2
C1	H10
C1	H11
C1	H12
C2	C3
C2	O4
C3	C5
C3	C6
C5	C7
C5	H13
C6	C8
C6	H14
C7	C9
C7	H15
C8	C9
C8	H16
C9	H17