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	hartrees
Energy at 0K	-342.490891
Energy at 298.15K	-342.493939
HF Energy	-342.490891
Nuclear repulsion energy	17.710748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2533	2533	38.38
2	A₁	1101	1101	31.76
3	E	2531	2531	83.84
3	E	2531	2531	83.84
4	E	1235	1235	19.68
4	E	1235	1235	19.68

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.121
H2	0.000	1.201	-0.607
H3	1.040	-0.601	-0.607
H4	-1.040	-0.601	-0.607

	P1	H2	H3	H4
P1		1.4051	1.4051	1.4051
H2	1.4051		2.0810	2.0810
H3	1.4051	2.0810		2.0810
H4	1.4051	2.0810	2.0810

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	P1	H3	95.553		H2	P1	H4	95.553
H3	P1	H4	95.552

All results from a given calculation for PH₃ (Phosphine)

using model chemistry: HF/aug-cc-pV(T+d)Z

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	-0.173
2	H	0.058
3	H	0.058
4	H	0.058

	x	y	z	Total
	0.000	0.000	-0.745	0.745
CHELPG
AIM
ESP

<r²>	15.433
(<r²>)^1/2	3.929

All results from a given calculation for PH3 (Phosphine)

using model chemistry: HF/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for PH₃ (Phosphine)