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	hartrees
Energy at 0K	-379.985465
Energy at 298.15K	-379.985890
Nuclear repulsion energy	36.338051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3260	3265	8.50
2	Σ	1270	1272	0.03
3	Π	676	678	60.95
3	Π	676	677	61.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.017
H2	0.000	0.000	-2.107
P3	0.000	0.000	0.547

	C1	H2	P3
C1		1.0898	1.5649
H2	1.0898		2.6546
P3	1.5649	2.6546

Number	Element	Mulliken
1	C	-0.109
2	H	0.025
3	P	0.085

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: BLYP/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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	x	y	z
x	2.587	0.000	-0.002
y	0.000	2.583	-0.002
z	-0.002	-0.002	6.373

<r²>	0.000
(<r²>)^1/2	0.000