CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	61.10	1.30	kJ mol^-1	webbook
Hfg(0K)		1.30	kJ mol^-1	webbook
Entropy (298.15K)	285.25		J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	13.66		kJ mol^-1	TRC
Heat Capacity (298.15K)	68.62		J K^-1 mol^-1	TRC

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A'	2994		1995Dor/Gur:1351
2	A'	2972		1995Dor/Gur:1351
3	A'	2946		1995Dor/Gur:1351
4	A'	2903		1995Dor/Gur:1351
5	A'	1470		1995Dor/Gur:1351
6	A'	1452		1995Dor/Gur:1351
7	A'	1224		1995Dor/Gur:1351
8	A'	1183		1995Dor/Gur:1351
9	A'	975		1995Dor/Gur:1351
10	A'	933		1995Dor/Gur:1351
11	A'	845		1995Dor/Gur:1351
12	A'	700		1995Dor/Gur:1351
13	A'	529		1995Dor/Gur:1351
14	A'
15	A"	2994		1995Dor/Gur:1351
16	A"	2950		1995Dor/Gur:1351
17	A"	1454		1995Dor/Gur:1351
18	A"	1281		1995Dor/Gur:1351
19	A"	1229		1995Dor/Gur:1351
20	A"	1165		1995Dor/Gur:1351
21	A"	1011		1995Dor/Gur:1351
22	A"	986		1995Dor/Gur:1351
23	A"	823		1995Dor/Gur:1351
24	A"	677		1995Dor/Gur:1351

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCS	1.847		1	2			1976Hellwege(II/7)
rCC	1.549		2	4			1976Hellwege(II/7)
rCH	1.100		2	5			1976Hellwege(II/7)
aCSC	76.8		2	1	3		1976Hellwege(II/7)
aCCS	90.6		1	2	4		1976Hellwege(II/7)
aCCC	95.6		2	4	3		1976Hellwege(II/7)

Bond Type	Count
H-C	6
C-C	2
C-S	2

Atom 1	Atom 2
S1	C2
S1	C3
C2	C4
C2	H5
C2	H6
C3	C4
C3	H7
C3	H8
C4	H9
C4	H10

	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 C3H6S (Thietane)

Experimental data for C₃H₆S (Thietane)