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'	3359		1984Sch/Obe:152-164					NH stretch
2	A'	3004							CH stretch
3	A'	2975							CH stretch
4	A'	2947							CH stretch
5	A'	2862							CH stretch
6	A'	1499							CH₂ deformation
7	A'	1450							CH₂ deformation
8	A'	1321							NH bend
9	A'	1253							skeleton
10	A'	1145							skeleton
11	A'	1029							CH₂ twist
12	A'	950							CH₂ rock
13	A'	892							CH₂ wag
14	A'	736							CH₂ rock
15	A'	662							skeleton
16	A'	200							pucker
17	A"	2960							CH stretch
18	A"	2934							CH stretch
19	A"	1341							CH₂ deformation
20	A"	1245							CH₂ wag
21	A"	1137							CH₂ wag
22	A"	1088							NH bend
23	A"	990							CH₂ twist
24	A"	938							CH₂ twist
25	A"	912							skeleton
26	A"	860						tentative	CH₂ rock
27	A"	650							skeleton

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCN	1.473	0.003	1	2			1984Sch/Obe:152-164
rCC	1.563	0.003	2	4			1984Sch/Obe:152-164
aCNC	91.2	0.4	2	1	3		1984Sch/Obe:152-164

Bond Type	Count
C-N	2
C-C	2
H-N	1
H-C	6

Atom 1	Atom 2
N1	C2
N1	C3
N1	H5
C2	C4
C2	H6
C2	H8
C3	C4
C3	H7
C3	H9
C4	H10
C4	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^'	C_s	True	0.530		1.230	1.340	1984Sch/Obe:152-164		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
1984Sch/Obe:152-164	G Schrem, H Oberhammer "The Gas-Phase Structure of Azetidine: Microwave Spectroscopy, and Electron Diffraction and Normal Coordinate Analysis" J. MOL. Spec. 104, 152-164 ( 1984)	10.1016/0022-2852(84)90251-0
2010Zap/Che:105-110	T Zaporozan, Z Chen, J van Wijngaarden "High resolution Fourier transform infrared spectra and analysis of the ν₁₄, ν₁₅ and ν₁₆ bands of azetidine" Journal of Molecular Spectroscopy 264 (2010) 105–110	10.1016/j.jms.2010.09.010

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Experimental data for C3H7N (Azetidine)

Experimental data for C₃H₇N (Azetidine)