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	hartrees
Energy at 0K	-343.006828
Energy at 298.15K	-343.009813
HF Energy	-343.006828
Nuclear repulsion energy	17.520043

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	2416	2314	22.36	165.31	0.01	0.01
2	A₁	1009	966	17.35	9.46	0.73	0.84
3	E	2430	2327	58.80	113.35	0.75	0.86
3	E	2430	2327	58.80	113.35	0.75	0.86
4	E	1137	1089	10.19	23.77	0.75	0.86
4	E	1137	1089	10.19	23.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.129
H2	0.000	1.191	-0.647
H3	1.031	-0.595	-0.647
H4	-1.031	-0.595	-0.647

	P1	H2	H3	H4
P1		1.4216	1.4216	1.4216
H2	1.4216		2.0625	2.0625
H3	1.4216	2.0625		2.0625
H4	1.4216	2.0625	2.0625

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	P1	H3	93.004		H2	P1	H4	93.004
H3	P1	H4	93.004

All results from a given calculation for PH₃ (Phosphine)

using model chemistry: HSEh1PBE/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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HF vs MP2 Bad vib. Calc. vs exp. 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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	-0.317
2	H	0.106
3	H	0.106
4	H	0.106

	x	y	z	Total
	0.000	0.000	-0.849	0.849
CHELPG
AIM
ESP

<r²>	15.282
(<r²>)^1/2	3.909

All results from a given calculation for PH3 (Phosphine)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for PH₃ (Phosphine)