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	hartrees
Energy at 0K	-379.400046
Energy at 298.15K	-379.400474
HF Energy	-379.133873
Nuclear repulsion energy	36.725160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3344	3202	9.03
2	Σ	1317	1261	0.97
3	Π	680	651	84.25
3	Π	680	651	84.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.007
H2	0.000	0.000	-2.085
P3	0.000	0.000	0.542

	C1	H2	P3
C1		1.0780	1.5484
H2	1.0780		2.6265
P3	1.5484	2.6265

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: QCISD/6-311G*

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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