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	hartrees
Energy at 0K	-378.054627
Energy at 298.15K	-378.055109
Nuclear repulsion energy	36.285881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3391	3272	15.93
2	Σ	1279	1234	1.31
3	Π	744	718	105.84
3	Π	744	718	105.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.023
H2	0.000	0.000	-2.093
P3	0.000	0.000	0.549

	C1	H2	P3
C1		1.0702	1.5711
H2	1.0702		2.6413
P3	1.5711	2.6413

Number	Element	Mulliken	ESP
1	C	-0.667	-0.306
2	H	0.239	0.246
3	P	0.429	0.061

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: B3LYP/3-21G

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>	26.704
(<r²>)^1/2	5.168