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	hartrees
Energy at 0K	-379.890087
Energy at 298.15K	-379.890533
Nuclear repulsion energy	36.258917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3402	3258	15.10
2	Σ	1272	1218	0.46
3	Π	704	674	101.84
3	Π	704	674	101.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.023
H2	0.000	0.000	-2.097
P3	0.000	0.000	0.549

	C1	H2	P3
C1		1.0744	1.5716
H2	1.0744		2.6460
P3	1.5716	2.6460

Number	Element	Mulliken
1	C	-0.446
2	H	0.218
3	P	0.228

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: B3PW91/6-31G

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>	26.668
(<r²>)^1/2	5.164