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	hartrees
Energy at 0K	-343.178466
Energy at 298.15K	-343.181457
HF Energy	-343.178466
Nuclear repulsion energy	17.545433

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	2409	2332	31.64	220.41	0.01	0.01
2	A₁	1021	989	20.73	16.54	0.61	0.76
3	E	2416	2339	64.21	115.27	0.75	0.86
3	E	2416	2339	64.22	115.26	0.75	0.86
4	E	1145	1109	11.97	23.93	0.75	0.86
4	E	1145	1109	11.96	23.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.128
H2	0.000	1.193	-0.641
H3	1.033	-0.596	-0.641
H4	-1.033	-0.596	-0.641

	P1	H2	H3	H4
P1		1.4194	1.4194	1.4194
H2	1.4194		2.0661	2.0661
H3	1.4194	2.0661		2.0661
H4	1.4194	2.0661	2.0661

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	P1	H3	93.408		H2	P1	H4	93.408
H3	P1	H4	93.408

All results from a given calculation for PH₃ (Phosphine)

using model chemistry: TPSSh/cc-pVTZ

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	-0.039
2	H	0.013
3	H	0.013
4	H	0.013

	x	y	z	Total
	0.000	0.000	-0.696	0.696
CHELPG
AIM
ESP

All results from a given calculation for PH3 (Phosphine)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for PH₃ (Phosphine)