CCCBDB listing of experimental data page 2

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INChI	INChIKey	SMILES	IUPAC name
InChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1,3-5H,2H2/t4-/m1/s1	FYXURNDAQXEZPB-SCSAIBSYSA-N	O[C@@H]1CC=CS1
InChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1,3-5H,2H2	FYXURNDAQXEZPB-UHFFFAOYSA-N	O[C@@H]1CC=CS1

Bond Type	Count
C-C	2
C=C	1
C-O	1
C-S	2
H-C	5
H-O	1

Atom 1	Atom 2
S1	C2
S1	C5
C2	C3
C2	O6
C2	H7
C3	C4
C3	H8
C3	H11
C4	C5
C4	H9
C5	H10
O6	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	¹A	C₁	True							C₁	3	5

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

	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 C4H6OS (2,3-dihydrothiophene-2-ol)

Experimental data for C₄H₆OS (2,3-dihydrothiophene-2-ol)