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	hartrees
Energy at 0K	-343.633637
Energy at 298.15K	-343.638080
HF Energy	-343.633637
Nuclear repulsion energy	23.111452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2453	2453	24.22
2	A₁	1827	1827	8.97
3	A₁	1011	1011	3.77
4	A₁	924	924	15.16
5	A₂	1238	1238	0.00
6	B₁	2471	2471	56.89
7	B₁	864	864	19.22
8	B₂	1497	1497	519.19
9	B₂	1145	1145	172.71

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.083
H2	0.000	1.517	0.193
H3	0.000	-1.517	0.193
H4	1.083	0.000	-0.819
H5	-1.083	0.000	-0.819

	P1	H2	H3	H4	H5
P1		1.5212	1.5212	1.4100	1.4100
H2	1.5212		3.0346	2.1213	2.1213
H3	1.5212	3.0346		2.1213	2.1213
H4	1.4100	2.1213	2.1213		2.1664
H5	1.4100	2.1213	2.1213	2.1664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	P1	H3	171.740	H2	P1	H4	92.642
H2	P1	H5	92.642	H3	P1	H4	92.642
H3	P1	H5	92.642	H4	P1	H5	100.390

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

using model chemistry: wB97X-D/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	0.084
2	H	-0.064
3	H	-0.064
4	H	0.022
5	H	0.022

	x	y	z	Total
	0.000	0.000	-0.665	0.665
CHELPG
AIM
ESP

<r²>	18.892
(<r²>)^1/2	4.346

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

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

States and conformations

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