CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	-908.80	3.80	kJ mol^-1	1997Ash/App:9111
Hfg(0K)	-900.80	3.80	kJ mol^-1	1997Ash/App:9111

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'	3675		2003Fer/Var:175-183
2	A'	1401
3	A'	1283
4	A'	1117
5	A'	905
6	A'	635
8	A'	440
9	A"	1187

Bond Type	Count
C-F	3
C-O	1
H-O	1

Atom 1	Atom 2
C1	O2
C1	F3
C1	F4
C1	F5
O2	H6

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^'	C_s	True							C_s	2	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
1997Ash/App:9111	RL Asher, EH Appelman, JL Tilson, M Lotorja, J Berkowitz, B Ruscic "A photoionization study of trifluoromethanol, CF3OH, trifluoromethylhypofluorite, CF3OF, and trifluoromethyl hypochlorite, CF3OCl" J. Chem. Phys. 106(22), 9111, 1997	10.1063/1.474017
2003Fer/Var:175-183	LE Fernandez, EL Varetti "A theoretical study of the vibrational properties of trifluoromethanol and the trifluoromethyl hypohalites, CF3OX (X = H, F, Cl, Br)" J. Mol. Struct. (Theochem) 629 (2003) 175–183	10.1016/S0166-1280(03)00125-8

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Experimental data for CF3OH (trifluoromethanol)

Experimental data for CF₃OH (trifluoromethanol)