CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	114.70	8.00	kJ mol^-1	1993RUS/BER:2568	estimate Hfg using HH of 10.22
Hfg(0K)	118.41	8.00	kJ mol^-1	1993RUS/BER:2568	estimate Hfg using HH of 10.22
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	A₁	2971		VEEL5					CH₂ s-stretch
2	A₁	1456		VEEL5					CH₂ sciss
3	A₁	1059		VEEL5					CS stretch
4	B₁	990		VEEL5					OPLA
5	B₂	3025		VEEL5					CH₂ a-stretch
6	B₂	991		VEEL5					CH₂ rock

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCS	1.611		1	2			1998Kuc	rs values
rCH	1.087		2	3			1998Kuc
aHCH	116.52		3	2	4		1998Kuc
aHCS	121.74		1	2	3		1998Kuc	by symmetry

Atom	y (Å)	z (Å)
S1	0.0000	0.5846
C2	0.0000	-1.0262
H3	0.9244	-1.5980
H4	-0.9244	-1.5980

	S1	C2	H3	H4
S1		1.6108	2.3702	2.3702
C2	1.6108		1.0869	1.0869
H3	2.3702	1.0869		1.8487
H4	2.3702	1.0869	1.8487

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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_2v	True			-1.647	1.647	1974Hel/Hel(II/6)	± 0.0014	C_2v	1	2

squib	reference	DOI
1974Hel/Hel(II/6)	Hellwege, KH and AM Hellwege (eds.). Landolt-Bornstein: Group II: Volume 6 Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy Springer-Verlag. Berlin. 1974.	10.1007/b19951
1993RUS/BER:2568	B. Ruscic, J. Berkowitz,"Photoionization mass spectrometry of CH2S and HCS" J. Chem. Phys. 98, 2568 (1993)	10.1063/1.464139
1994Clo/Hua:7300	Clouthier, D.; Huang, G.; Adam, A.G.; Merer, A.J. "Sub-Doppler spectroscopy of thioformaldehyde: Excited state perturbations and evidence for rotation-induced vibrational mixing in the ground state." Journal of Chemical Physics. 101, 7300-7310 (1994)	10.1063/1.468287
1998Kuc	K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998	10.1007/978-3-642-45748-7
VEEL5	M.E. Jacox, Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules, J. Phys. Chem.Ref. Data, Monograph 3 (1994) (updated data in NIST Chemistry Webbook - http://webbook.nist.gov/chemistry/
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.740		S1	C2	H4	121.740
H3	C2	H4	116.520

Bond Type	Count
H-C	2
C=S	1

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Experimental data for H2CS (Thioformaldehyde)

Experimental data for H₂CS (Thioformaldehyde)