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	hartrees
Energy at 0K	-379.793186
Energy at 298.15K	-379.793665
HF Energy	-379.793186
Nuclear repulsion energy	36.932323

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3404	3235	12.05
2	Σ	1363	1295	0.93
3	Π	739	703	72.80
3	Π	739	703	72.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.000
H2	0.000	0.000	-2.076
P3	0.000	0.000	0.539

	C1	H2	P3
C1		1.0760	1.5390
H2	1.0760		2.6150
P3	1.5390	2.6150

Number	Element	Mulliken
1	C	-0.299
2	H	0.219
3	P	0.080

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: PBE1PBE/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	25.953
(<r²>)^1/2	5.094