CCCBDB listing of experimental data page 2

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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	2991		1974Cro/Mao:161-174
2	A	2966		1974Cro/Mao:161-174
3	A	2957		1974Cro/Mao:161-174
4	A	2940		1974Cro/Mao:161-174
5	A	2917		1974Cro/Mao:161-174
6	A	2905		1974Cro/Mao:161-174
7	A	2880		1974Cro/Mao:161-174
8	A	2846		1974Cro/Mao:161-174
9	A	2846		1974Cro/Mao:161-174
10	A	1480		1980Shi/Mat:1149-1254
11	A	1467		1980Shi/Mat:1149-1254
12	A	1457		1980Shi/Mat:1149-1254
13	A	1457		1980Shi/Mat:1149-1254
14	A	1433		1980Shi/Mat:1149-1254
15	A	1394		1980Shi/Mat:1149-1254
16	A	1387		1980Shi/Mat:1149-1254
17	A	1344		1980Shi/Mat:1149-1254
18	A	1309		1980Shi/Mat:1149-1254
19	A	1296		1980Shi/Mat:1149-1254
20	A	1255		1980Shi/Mat:1149-1254
21	A	1229		1980Shi/Mat:1149-1254
22	A	1150		1980Shi/Mat:1149-1254
23	A	1122		1980Shi/Mat:1149-1254
24	A	1064		1980Shi/Mat:1149-1254
25	A	1025		1980Shi/Mat:1149-1254
26	A	970		1980Shi/Mat:1149-1254
27	A	949		1980Shi/Mat:1149-1254
28	A	841		1980Shi/Mat:1149-1254
29	A	832		1980Shi/Mat:1149-1254
30	A	740		1980Shi/Mat:1149-1254
31	A	513		1980Shi/Mat:1149-1254
32	A	350		1980Shi/Mat:1149-1254
33	A	265		1980Shi/Mat:1149-1254

Bond Type	Count
C-C	3
C-F	1
H-C	9

Atom 1	Atom 2
C1	C2
C1	F5
C1	H6
C1	H7
C2	C3
C2	H8
C2	H9
C3	C4
C3	H10
C3	H11
C4	H12
C4	H13
C4	H14

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	C₁	True	0.970	1.500	0.300	1.810	2000Fav/Mar:3018-3025	x=a, y=b, z=c	C₁	3	5

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	C₁	True						C₁	3	5

	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
1980Shi/Mat:1149-1254	T Shimanouchi, H Matsuura, Y Ogawa, I Harada "Tables of Molecular Vibrational Frequencies Part 10" Journal of Physical and Chemical Reference Data 9, 1149 (1980)	10.1063/1.555630
2000Fav/Mar:3018-3025	LB Favero, A Maris, AD Esposti, PG.Favero, W Caminati, G Pawelke "Conformational Equilibrium and Potential Energy Surface of 1‐Fluorobutane by Microwave Spectroscopy and Ab Initio Calculations" Chemistry - A European Journal 3018-3025, 2000	10.1002/1521-3765(20000818)6:16<3018::AID-CHEM3018>3.0.CO;2-L

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Experimental data for C4H9F (1-fluorobutane)

Experimental data for C₄H₉F (1-fluorobutane)