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	hartrees
Energy at 0K	-379.956546
Energy at 298.15K	-379.957016
HF Energy	-379.956546
Nuclear repulsion energy	37.015999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3400	3238	16.55
2	Σ	1377	1312	0.07
3	Π	724	689	89.11
3	Π	724	689	89.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.997
H2	0.000	0.000	-2.072
P3	0.000	0.000	0.537

	C1	H2	P3
C1		1.0751	1.5343
H2	1.0751		2.6094
P3	1.5343	2.6094

Number	Element	Mulliken
1	C	-0.251
2	H	0.195
3	P	0.056

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: wB97X-D/6-31+G**

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>	26.110
(<r²>)^1/2	5.110