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	hartrees
Energy at 0K	-380.042890
Energy at 298.15K	-380.043353
HF Energy	-380.042890
Nuclear repulsion energy	36.984874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3349	3240	15.78
2	Σ	1338	1294	0.02
3	Π	713	689	76.87
4	Π	713	689	76.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.999
H2	0.000	0.000	-2.069
P3	0.000	0.000	0.537

	C1	H2	P3
C1		1.0701	1.5358
H2	1.0701		2.6060
P3	1.5358	2.6060

Number	Element	Mulliken
1	C	-0.806
2	H	0.509
3	P	0.297

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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>	26.207
(<r²>)^1/2	5.119