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'	3042		webbook
2	A'	2968
3	A'	2263
6	A'	1213
7	A'	1112
8	A'	883
11	A"	3017
12	A"	1462

Bond Type	Count
H-C	3
C-N	1
C=N	1
C=O	1

Atom 1	Atom 2
C1	N2
C1	H5
C1	H6
C1	H7
N2	C3
C3	O4

	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 CH3NCO (methylisocyante)

Experimental data for CH₃NCO (methylisocyante)