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	hartrees
Energy at 0K	-1722.140421
Energy at 298.15K	-1722.141349
HF Energy	-1722.140421
Nuclear repulsion energy	339.198186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	498	479	30.51
2	A₁	250	241	0.81
3	E	477	460	155.36
3	E	477	460	155.33
4	E	180	173	0.08
4	E	180	173	0.08

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.644
Cl2	0.000	1.793	-0.189
Cl3	1.553	-0.897	-0.189
Cl4	-1.553	-0.897	-0.189

	P1	Cl2	Cl3	Cl4
P1		1.9772	1.9772	1.9772
Cl2	1.9772		3.1060	3.1060
Cl3	1.9772	3.1060		3.1060
Cl4	1.9772	3.1060	3.1060

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	P1	Cl3	103.525		Cl2	P1	Cl4	103.525
Cl3	P1	Cl4	103.525

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

using model chemistry: B3LYP/Def2TZVPP

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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Number	Element	Mulliken
1	P	0.500
2	Cl	-0.167
3	Cl	-0.167
4	Cl	-0.167

	x	y	z	Total
	0.000	0.000	0.666	0.666
CHELPG
AIM
ESP

	x	y	z
x	9.949	0.000	0.000
y	0.000	9.947	0.001
z	0.000	0.001	6.684

<r²>	215.001
(<r²>)^1/2	14.663

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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