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	hartrees
Energy at 0K	-379.998743
Energy at 298.15K	-379.999193
Nuclear repulsion energy	36.765603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3372	3231	18.02
2	Σ	1347	1291	0.00
3	Π	697	668	77.99
3	Π	697	668	77.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.005
H2	0.000	0.000	-2.085
P3	0.000	0.000	0.541

	C1	H2	P3
C1		1.0803	1.5461
H2	1.0803		2.6264
P3	1.5461	2.6264

Number	Element	Mulliken
1	C	-0.025
2	H	-0.212
3	P	0.237

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: mPW1PW91/aug-cc-pVDZ

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>	26.304
(<r²>)^1/2	5.129