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	hartrees
Energy at 0K	-339.730297
Energy at 298.15K	-339.734677
HF Energy	-339.730297
Nuclear repulsion energy	23.217236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2883	2883	14.30
2	A₁	2063	2063	10.45
3	A₁	1233	1233	11.05
4	A₁	1065	1065	34.14
5	A₂	1451	1451	0.00
6	B₁	2914	2914	12.01
7	B₁	913	913	33.17
8	B₂	1441	1441	7.55
9	B₂	883	883	449.14

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.098
H2	0.000	1.534	0.099
H3	0.000	-1.534	0.099
H4	1.032	0.000	-0.834
H5	-1.032	0.000	-0.834

	P1	H2	H3	H4	H5
P1		1.5341	1.5341	1.3904	1.3904
H2	1.5341		3.0682	2.0707	2.0707
H3	1.5341	3.0682		2.0707	2.0707
H4	1.3904	2.0707	2.0707		2.0643
H5	1.3904	2.0707	2.0707	2.0643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	P1	H3	179.946	H2	P1	H4	90.018
H2	P1	H5	90.018	H3	P1	H4	90.018
H3	P1	H5	90.018	H4	P1	H5	95.860

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

using model chemistry: M06-2X/STO-3G

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	0.390
2	H	-0.115
3	H	-0.115
4	H	-0.080
5	H	-0.080

	x	y	z	Total
	0.000	0.000	-0.393	0.393
CHELPG
AIM
ESP

<r²>	17.645
(<r²>)^1/2	4.201

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

using model chemistry: M06-2X/STO-3G

States and conformations

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