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	hartrees
Energy at 0K	-1722.239889
Energy at 298.15K	-1722.240865
Nuclear repulsion energy	338.812020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	513	493	36.69
2	A₁	250	241	1.85
3	E	498	479	162.16
3	E	498	479	162.17
4	E	180	173	0.25
4	E	180	173	0.25

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.740
Cl2	0.000	1.842	-0.218
Cl3	1.595	-0.921	-0.218
Cl4	-1.595	-0.921	-0.218

	P1	Cl2	Cl3	Cl4
P1		2.0761	2.0761	2.0761
Cl2	2.0761		3.1900	3.1900
Cl3	2.0761	3.1900		3.1900
Cl4	2.0761	3.1900	3.1900

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	P1	Cl3	100.399		Cl2	P1	Cl4	100.399
Cl3	P1	Cl4	100.399

All results from a given calculation for PCl₃ (Phosphorus trichloride)

using model chemistry: B1B95/cc-pVDZ

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	0.421
2	Cl	-0.140
3	Cl	-0.140
4	Cl	-0.140

	x	y	z	Total
	0.000	0.000	0.847	0.847
CHELPG
AIM
ESP

<r²>	214.999
(<r²>)^1/2	14.663

All results from a given calculation for PCl3 (Phosphorus trichloride)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for PCl₃ (Phosphorus trichloride)