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	hartrees
Energy at 0K	-379.388309
Energy at 298.15K	-379.388754
Nuclear repulsion energy	36.490725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3372	3226	14.86
2	Σ	1321	1264	0.00
3	Π	695	665	67.73
3	Π	695	665	67.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.013
H2	0.000	0.000	-2.099
P3	0.000	0.000	0.545

	C1	H2	P3
C1		1.0862	1.5581
H2	1.0862		2.6443
P3	1.5581	2.6443

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: CCD/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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