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	hartrees
Energy at 0K	-379.974330
Energy at 298.15K	-379.974810
Nuclear repulsion energy	36.959951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3411	3235	10.24
2	Σ	1363	1293	0.99
3	Π	742	704	73.10
3	Π	742	703	72.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.000
H2	0.000	0.000	-2.074
P3	0.000	0.000	0.538

	C1	H2	P3
C1		1.0745	1.5380
H2	1.0745		2.6124
P3	1.5380	2.6124

Number	Element	Mulliken
1	C	-0.300
2	H	0.219
3	P	0.081

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: mPW1PW91/6-31G*

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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<r²>	25.905
(<r²>)^1/2	5.090