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	hartrees
Energy at 0K	-379.774237
Energy at 298.15K	-379.774701
Nuclear repulsion energy	36.696599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3303	3269	12.08
2	Σ	1301	1287	0.64
3	Π	721	713	61.84
3	Π	721	713	61.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.007
H2	0.000	0.000	-2.088
P3	0.000	0.000	0.542

	C1	H2	P3
C1		1.0810	1.5492
H2	1.0810		2.6302
P3	1.5492	2.6302

Number	Element	Mulliken
1	C	-0.119
2	H	0.190
3	P	-0.071

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: PBEPBE/6-31G(2df,p)

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>	0.000
(<r²>)^1/2	0.000