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	hartrees
Energy at 0K	-379.360842
Energy at 298.15K	-379.361282
HF Energy	-379.103495
Nuclear repulsion energy	36.682754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3386	3224	8.07
2	Σ	1313	1250	1.26
3	Π	698	664	71.05
3	Π	698	664	71.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.006
H2	0.000	0.000	-2.084
P3	0.000	0.000	0.541

	C1	H2	P3
C1		1.0773	1.5477
H2	1.0773		2.6250
P3	1.5477	2.6250

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: QCISD/6-31G*

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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