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	hartrees
Energy at 0K	-379.976202
Energy at 298.15K	-379.976685
Nuclear repulsion energy	36.963132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3402	3237	13.86
2	Σ	1362	1296	0.96
3	Π	741	705	72.01
3	Π	741	705	71.96

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		1.0737	1.5380
H2	1.0737		2.6117
P3	1.5380	2.6117

Number	Element	Mulliken
1	C	-0.259
2	H	0.179
3	P	0.080

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