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	hartrees
Energy at 0K	-379.152314
Energy at 298.15K	-379.152863
Nuclear repulsion energy	37.543080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3515	3200	20.85
2	Σ	1462	1331	1.13
3	Π	821	747	91.27
3	Π	821	747	91.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.984
H2	0.000	0.000	-2.045
P3	0.000	0.000	0.530

	C1	H2	P3
C1		1.0614	1.5134
H2	1.0614		2.5748
P3	1.5134	2.5748

Number	Element	Mulliken
1	C	-0.858
2	H	0.671
3	P	0.187

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: HF/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>	25.854
(<r²>)^1/2	5.085