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	hartrees
Energy at 0K	-343.511250
Energy at 298.15K	-343.515680
HF Energy	-343.511250
Nuclear repulsion energy	23.046951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2489	2367	28.17
2	A₁	1810	1721	8.87
3	A₁	1015	966	1.30
4	A₁	913	869	13.59
5	A₂	1229	1169	0.00
6	B₁	2507	2384	66.23
7	B₁	851	809	14.39
8	B₂	1457	1385	484.41
9	B₂	1143	1087	152.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.086
H2	0.000	1.524	0.187
H3	0.000	-1.524	0.187
H4	1.076	0.000	-0.830
H5	-1.076	0.000	-0.830

	P1	H2	H3	H4	H5
P1		1.5270	1.5270	1.4131	1.4131
H2	1.5270		3.0473	2.1246	2.1246
H3	1.5270	3.0473		2.1246	2.1246
H4	1.4131	2.1246	2.1246		2.1517
H5	1.4131	2.1246	2.1246	2.1517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	P1	H3	172.400	H2	P1	H4	92.463
H2	P1	H5	92.463	H3	P1	H4	92.463
H3	P1	H5	92.463	H4	P1	H5	99.170

All results from a given calculation for PH₄ (Phosphoranyl radical)

using model chemistry: HSEh1PBE/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	P	-0.103
2	H	-0.018
3	H	-0.018
4	H	0.070
5	H	0.070

	x	y	z	Total
	0.000	0.000	-0.693	0.693
CHELPG
AIM
ESP

<r²>	19.000
(<r²>)^1/2	4.359

All results from a given calculation for PH4 (Phosphoranyl radical)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for PH₄ (Phosphoranyl radical)