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	hartrees
Energy at 0K	-343.139723
Energy at 298.15K	-343.142723
HF Energy	-343.139723
Nuclear repulsion energy	17.553370

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	2443	2343	52.20	192.72	0.01	0.01
2	A₁	1059	1016	28.03	31.24	0.67	0.80
3	E	2454	2355	118.53	144.19	0.75	0.86
3	E	2454	2355	118.55	144.20	0.75	0.86
4	E	1182	1134	15.01	57.57	0.75	0.86
4	E	1182	1134	15.00	57.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.128
H2	0.000	1.192	-0.641
H3	1.033	-0.596	-0.641
H4	-1.033	-0.596	-0.641

	P1	H2	H3	H4
P1		1.4187	1.4187	1.4187
H2	1.4187		2.0654	2.0654
H3	1.4187	2.0654		2.0654
H4	1.4187	2.0654	2.0654

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	P1	H3	93.421		H2	P1	H4	93.421
H3	P1	H4	93.421

All results from a given calculation for PH₃ (Phosphine)

using model chemistry: TPSSh/6-31G*

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	-0.095
2	H	0.032
3	H	0.032
4	H	0.032

	x	y	z	Total
	0.000	0.000	-1.006	1.006
CHELPG
AIM
ESP

<r²>	15.345
(<r²>)^1/2	3.917

All results from a given calculation for PH3 (Phosphine)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for PH₃ (Phosphine)