CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	22.90	1.60	kJ mol^-1	1982Gom/Sab:67
Hfg(0K)		1.60	kJ mol^-1	1982Gom/Sab:67
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1

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'	3521
2	A'	3413
3	A'	2964
4	A'	2925
5	A'	1597
6	A'	1433
7	A'	1372
8	A'	1348
9	A'	1309
10	A'	999
11	A'	987
12	A'	735
13	A'	434
14	A'
15	A"	2941
16	A"	1437
17	A"
18	A"	603
19	A"	501
20	A"
21	A"

Bond Type	Count
H-N	4
C-N	2
C=S	1

Atom 1	Atom 2
C1	S2
C1	N3
C1	N4
N3	H5
N3	H6
N4	H7
N4	H8

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	C₂	True							C₂	1	3

	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
1982Gom/Sab:67	LA Gomez, R Sabbah, "Thermodynamique de substances soufrees. IV. Etude thermochimique de la thiouree, de la thiosemicarbazide et de la thiocarbohydrazide" Thermochim. Acta, 1982, 57, 67-81	10.1016/0040-6031(82)87024-X
2004Les/Mat:6191	A Lesarri, S Mata, S Blanco, JC Lopez, JL Alonso "A rotational study of laser ablated thiourea" J. Chem. Phys. 120(13), 6191, 2004	10.1063/1.1642585
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for NH2CSNH2 (Thiourea)

Experimental data for NH₂CSNH₂ (Thiourea)