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	hartrees
Energy at 0K	-342.945890
Energy at 298.15K	-342.950379
HF Energy	-342.945890
Nuclear repulsion energy	23.275606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2614	2364	34.96	152.17	0.13	0.24
2	A₁	1837	1661	13.77	441.93	0.30	0.47
3	A₁	1083	980	0.18	40.16	0.49	0.66
4	A₁	1013	916	32.12	8.13	0.11	0.20
5	A₂	1305	1180	0.00	68.89	0.75	0.86
6	B₁	2625	2374	80.81	122.46	0.75	0.86
7	B₁	920	831	34.84	0.15	0.75	0.86
8	B₂	1404	1269	304.07	5.46	0.75	0.86
9	B₂	1144	1035	601.23	33.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.078
H2	0.000	1.507	0.223
H3	0.000	-1.507	0.223
H4	1.079	0.000	-0.809
H5	-1.079	0.000	-0.809

	P1	H2	H3	H4	H5
P1		1.5136	1.5136	1.3965	1.3965
H2	1.5136		3.0133	2.1207	2.1207
H3	1.5136	3.0133		2.1207	2.1207
H4	1.3965	2.1207	2.1207		2.1571
H5	1.3965	2.1207	2.1207	2.1571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	P1	H3	169.056	H2	P1	H4	93.473
H2	P1	H5	93.473	H3	P1	H4	93.473
H3	P1	H5	93.473	H4	P1	H5	101.123

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

using model chemistry: HF/6-31+G**

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	0.308
2	H	-0.113
3	H	-0.113
4	H	-0.041
5	H	-0.041

	x	y	z	Total
	0.000	0.000	-0.433	0.433
CHELPG
AIM
ESP

<r²>	19.137
(<r²>)^1/2	4.375

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

using model chemistry: HF/6-31+G**

States and conformations

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