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
rCS	1.801	0.001	1	4			2002Ant/Les:125
aCSC	99.44	0.06	1	4	2		2002Ant/Les:125
aSCS	116.45	0.07	4	2	5		2002Ant/Les:125
aHCS	112.8	0.7	4	1	10		2002Ant/Les:125	equitorial H
aHCS	107.5	1.5	4	1	7		2002Ant/Les:125	H axial
rCH	1.114		1	7			1989Ben/Kuc:953

Bond Type	Count
C-S	6
H-C	6

Atom 1	Atom 2
C1	S4
C1	S6
C1	H7
C1	H10
C2	S4
C2	S5
C2	H8
C2	H11
C3	S5
C3	S6
C3	H9
C3	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	C_3v	True							C_3v	1	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	C_3v	True						C_3v	1	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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squib	reference	DOI
1989Ben/Kuc:953	Z Bencze, A Kucsman, G Schultz, I Hargittai "The molecular Structure of 1,3,5-Trithiane from Electron Diffraction" Acta Chemica Scandinavica 43 (1989) 953-956	10.3891/acta.chem.scand.43-0953
2002Ant/Les:125	S Antolinez, A Lesarri, S Mata, S Blanco, JC Lopez "Jet-cooled rotational spectrum of laser-ablated 1,3,5-trithiane" J. Mol. Struct. 612 (2002) 125-131	10.1016/S0022-2860(02)00083-2
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C3H6S3 (1,3,5-Trithiane)

Experimental data for C₃H₆S₃ (1,3,5-Trithiane)