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	hartrees
Energy at 0K	-379.926562
Energy at 298.15K	-379.927038
Nuclear repulsion energy	36.890061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3381	3241	11.88
2	Σ	1349	1293	0.93
3	Π	733	703	70.67
3	Π	733	703	70.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.002
H2	0.000	0.000	-2.077
P3	0.000	0.000	0.539

	C1	H2	P3
C1		1.0753	1.5411
H2	1.0753		2.6164
P3	1.5411	2.6164

Number	Element	Mulliken
1	C	-0.250
2	H	0.176
3	P	0.075

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: B3PW91/6-31G**

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>	25.958
(<r²>)^1/2	5.095