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	hartrees
Energy at 0K	-343.103573
Energy at 298.15K	-343.106559
HF Energy	-343.103573
Nuclear repulsion energy	17.240221

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	2290	2203	88.18	244.37	0.01	0.01
2	A₁	1009	971	31.45	46.79	0.59	0.74
3	E	2323	2235	154.69	159.12	0.75	0.86
3	E	2323	2235	154.69	159.13	0.75	0.86
4	E	1151	1107	18.38	77.40	0.75	0.86
4	E	1151	1107	18.38	77.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.128
H2	0.000	1.223	-0.639
H3	1.059	-0.612	-0.639
H4	-1.059	-0.612	-0.639

	P1	H2	H3	H4
P1		1.4440	1.4440	1.4440
H2	1.4440		2.1188	2.1188
H3	1.4440	2.1188		2.1188
H4	1.4440	2.1188	2.1188

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	P1	H3	94.387		H2	P1	H4	94.387
H3	P1	H4	94.387

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	0.023
2	H	-0.008
3	H	-0.008
4	H	-0.008

	x	y	z	Total
	0.000	0.000	-1.389	1.389
CHELPG
AIM
ESP

<r²>	15.800
(<r²>)^1/2	3.975

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)