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	hartrees
Energy at 0K	-343.665057
Energy at 298.15K	-343.669473
HF Energy	-343.665057
Nuclear repulsion energy	23.155262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2469	2364	13.38
2	A₁	1810	1734	5.59
3	A₁	995	953	0.93
4	A₁	885	847	11.97
5	A₂	1202	1151	0.00
6	B₁	2485	2380	37.06
7	B₁	828	793	12.00
8	B₂	1495	1432	343.50
9	B₂	1117	1070	102.93

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.086
H2	0.000	1.516	0.177
H3	0.000	-1.516	0.177
H4	1.074	0.000	-0.824
H5	-1.074	0.000	-0.824

	P1	H2	H3	H4	H5
P1		1.5184	1.5184	1.4079	1.4079
H2	1.5184		3.0314	2.1102	2.1102
H3	1.5184	3.0314		2.1102	2.1102
H4	1.4079	2.1102	2.1102		2.1488
H5	1.4079	2.1102	2.1102	2.1488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	P1	H3	173.144	H2	P1	H4	92.215
H2	P1	H5	92.215	H3	P1	H4	92.215
H3	P1	H5	92.215	H4	P1	H5	99.483

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

using model chemistry: B1B95/6-31G(2df,p)

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	-0.267
2	H	0.024
3	H	0.024
4	H	0.110
5	H	0.110

	x	y	z	Total
	0.000	0.000	-0.556	0.556
CHELPG
AIM
ESP

<r²>	18.679
(<r²>)^1/2	4.322

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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