CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	57.74	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)		J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)		kJ mol^-1

Bond Type	Count
H-C	6
C-S	4
C=S	1

Atom 1	Atom 2
C1	S2
C1	S3
C1	S4
S3	C5
S4	C6
C5	H7
C5	H9
C5	H10
C6	H8
C6	H11
C6	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	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	¹A₁	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 C3H6S3 (Carbonotrithioic acid, dimethyl ester)

Experimental data for C₃H₆S₃ (Carbonotrithioic acid, dimethyl ester)