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	hartrees
Energy at 0K	-343.033449
Energy at 298.15K	-343.036434
HF Energy	-343.033449
Nuclear repulsion energy	17.560410

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	2413	2413	29.08	222.79	0.01	0.02
2	A₁	1004	1004	18.30	1.16	0.23	0.38
3	E	2423	2423	50.09	108.99	0.75	0.86
3	E	2423	2423	50.09	109.01	0.75	0.86
4	E	1134	1134	11.21	8.11	0.75	0.86
4	E	1134	1134	11.21	8.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.129
H2	0.000	1.189	-0.645
H3	1.030	-0.594	-0.645
H4	-1.030	-0.594	-0.645

	P1	H2	H3	H4
P1		1.4183	1.4183	1.4183
H2	1.4183		2.0591	2.0591
H3	1.4183	2.0591		2.0591
H4	1.4183	2.0591	2.0591

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	P1	H3	93.086		H2	P1	H4	93.086
H3	P1	H4	93.087

All results from a given calculation for PH₃ (Phosphine)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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	-0.126
2	H	0.042
3	H	0.042
4	H	0.042

	x	y	z	Total
	0.000	0.000	-0.635	0.635
CHELPG
AIM
ESP

	x	y	z
x	4.272	0.000	0.000
y	0.000	4.272	-0.000
z	0.000	-0.000	4.431

<r²>	15.428
(<r²>)^1/2	3.928

All results from a given calculation for PH3 (Phosphine)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for PH₃ (Phosphine)