CCCBDB listing of experimental data page 2

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Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCO	1.212	0.002	1	2			1973Ben/Fly:2772-2777
rCC	1.412	0.003	2	3			1973Ben/Fly:2772-2777
rCC	1.302	0.003	3	4			1973Ben/Fly:2772-2777
rCH	1.097	0.003	3	5			1973Ben/Fly:2772-2777
aCCH	144.92	0.33	3	4	6		1973Ben/Fly:2772-2777
aCCC	62.55	0.33	2	3	4		1973Ben/Fly:2772-2777

Bond Type	Count
C=O	1
C-C	2
C=C	1
H-C	2

Atom 1	Atom 2
O1	C2
C2	C3
C2	C4
C3	C4
C3	H5
C4	H6

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			4.390	4.390	1973Ben/Fly:2772-2777	+-0.06	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	-1.000	4.000	-3.000		1973Ben/Fly:2772-2777	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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Experimental data for C2H2CO (cyclopropenone)

Experimental data for C₂H₂CO (cyclopropenone)