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	hartrees
Energy at 0K	-379.805021
Energy at 298.15K	-379.805477
HF Energy	-379.719816
Nuclear repulsion energy	36.686541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3400	3227	10.84
2	Σ	1295	1229	0.78
3	Π	717	681	70.28
4	Π	717	681	70.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.006
H2	0.000	0.000	-2.080
P3	0.000	0.000	0.541

	C1	H2	P3
C1		1.0741	1.5473
H2	1.0741		2.6214
P3	1.5473	2.6214

Number	Element	Mulliken
1	C	-0.270
2	H	0.200
3	P	0.070

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: B2PLYP/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>	26.216
(<r²>)^1/2	5.120