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	Σ	2986	3125	2007Sun/Zha:104312
2	Σ	1282	1156	2007Sun/Zha:104312				nu3 in ref
3	Π	718	643	2007Sun/Zha:104312				nu2 in ref

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.077	0.002	3				2007Sun/Zha:104312	r0
rCP	1.601	0.000	1	2			2007Sun/Zha:104312
aHCP	180		2	1	3		2007Sun/Zha:104312

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	0.0000
P2	0.0000	0.0000	1.6013
H3	0.0000	0.0000	-1.0770

	C1	P2	H3
C1		1.6013	1.0770
P2	1.6013		2.6783
H3	1.0770	2.6783

Bond Type	Count
C#P	1
H-C	1

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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	²Π	C_∞v	True							C_∞v	1	1

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Experimental data for HCP (Phosphaethyne)