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	hartrees
Energy at 0K	-379.151513
Energy at 298.15K	-379.152065
Nuclear repulsion energy	37.550372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3513	3197	19.80
2	Σ	1465	1333	1.94
3	Π	826	752	88.97
3	Π	826	752	88.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.983
H2	0.000	0.000	-2.045
P3	0.000	0.000	0.530

	C1	H2	P3
C1		1.0616	1.5131
H2	1.0616		2.5747
P3	1.5131	2.5747

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.352	-0.420	-1.559	-0.511
2	H	0.229	0.281	0.148	0.336
3	P	0.123	0.139	1.408	0.176

All results from a given calculation for HCP (Phosphaethyne)

using model chemistry: HF/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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	x	y	z	Total
	0.000	0.000	-0.397	0.397
CHELPG
AIM	0.000	0.000	-3.892	3.892
ESP	0.000	0.000	-0.435	0.435

<r²>	25.744
(<r²>)^1/2	5.074