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	hartrees
Energy at 0K	-379.468093
Energy at 298.15K	-379.468544
HF Energy	-379.151075
Nuclear repulsion energy	36.850531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3366	3217	14.90
2	Σ	1328	1270	0.07
3	Π	699	668	72.06
3	Π	699	668	72.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.002
H2	0.000	0.000	-2.073
P3	0.000	0.000	0.539

	C1	H2	P3
C1		1.0706	1.5416
H2	1.0706		2.6122
P3	1.5416	2.6122

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: CCSD/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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