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	hartrees
Energy at 0K	-379.990852
Energy at 298.15K	-379.991252
Nuclear repulsion energy	36.341158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3260	3254	12.49
2	Σ	1266	1264	0.14
3	Π	650	649	75.72
3	Π	650	649	75.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.018
H2	0.000	0.000	-2.106
P3	0.000	0.000	0.547

	C1	H2	P3
C1		1.0879	1.5651
H2	1.0879		2.6529
P3	1.5651	2.6529

Number	Element	Mulliken
1	C	0.288
2	H	-0.381
3	P	0.093

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: BLYP/aug-cc-pVDZ

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>	26.841
(<r²>)^1/2	5.181