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	hartrees
Energy at 0K	-343.091835
Energy at 298.15K	-343.094830
HF Energy	-343.091835
Nuclear repulsion energy	17.602387

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	2447	2331	20.42	166.91	0.01	0.01
2	A₁	1039	989	20.36	9.33	0.73	0.84
3	E	2457	2340	57.46	115.46	0.75	0.86
3	E	2457	2340	57.17	115.39	0.75	0.86
4	E	1158	1103	11.65	24.49	0.75	0.86
4	E	1158	1103	11.73	24.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.128
H2	0.000	1.187	-0.641
H3	1.028	-0.594	-0.641
H4	-1.028	-0.594	-0.641

	P1	H2	H3	H4
P1		1.4149	1.4149	1.4149
H2	1.4149		2.0563	2.0563
H3	1.4149	2.0563		2.0563
H4	1.4149	2.0563	2.0563

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	P1	H3	93.215		H2	P1	H4	93.215
H3	P1	H4	93.215

All results from a given calculation for PH₃ (Phosphine)

using model chemistry: M06-2X/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	-0.257
2	H	0.086
3	H	0.086
4	H	0.086

	x	y	z	Total
	0.000	0.000	-0.767	0.767
CHELPG
AIM
ESP

	x	y	z
x	3.514	0.000	0.000
y	0.000	3.519	-0.000
z	0.000	-0.000	3.281

<r²>	15.251
(<r²>)^1/2	3.905

All results from a given calculation for PH3 (Phosphine)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for PH₃ (Phosphine)