CCCBDB listing of experimental data page 2

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

Atom 1	Atom 2
C1	C2
C1	C3
C1	H6
C1	H7
C2	F4
C2	H8
C2	H9
C3	F5
C3	H10
C3	H11

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		2.082		2.082	1997Mar/Mol:1058-1065		C₂	1	3
1	2	¹A₁	C_2v	False
1	3	¹A	C₁	False	1.076	1.595	0.306	1.949	1997Mar/Mol:1058-1065

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	¹A	C₂	True						C₂	1	3
1	2	¹A₁	C_2v	False
1	3	¹A	C₁	False

squib	reference	DOI
1997Mar/Mol:1058-1065	KM Marstokk, H Mollendal "Structural and Conformational Properties of 1,3-Difluoropropane as Studied by Microwave Spectroscopy and Ab lnitio Calculations" Acta Chemica Scandinavica, 1997: 51: 1058-1065	10.3891/acta.chem.scand.51-1058
2019Lu/Zha:064305	T Lu, J Zhang, J Chen, Q Gou, Z Xia, G Feng "Structure and non-covalent interactions of 1,3-difluoropropane and its complex with water explored by rotational spectroscopy and quantum chemical calculations" J. Chem. Phys. 150, 064305 (2019)	10.1063/1.5079564

	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 CH2FCH2CH2F (1,3-difluoropropane)

Experimental data for CH₂FCH₂CH₂F (1,3-difluoropropane)