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	hartrees
Energy at 0K	-1722.161681
Energy at 298.15K	-1722.162599
HF Energy	-1722.161681
Nuclear repulsion energy	337.559249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	496	479	30.47
2	A₁	246	238	0.92
3	E	475	459	154.82
3	E	475	459	154.82
4	E	178	172	0.08
4	E	178	172	0.08

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.736
Cl2	0.000	1.851	-0.216
Cl3	1.603	-0.926	-0.216
Cl4	-1.603	-0.926	-0.216

	P1	Cl2	Cl3	Cl4
P1		2.0816	2.0816	2.0816
Cl2	2.0816		3.2064	3.2064
Cl3	2.0816	3.2064		3.2064
Cl4	2.0816	3.2064	3.2064

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	P1	Cl3	100.738		Cl2	P1	Cl4	100.738
Cl3	P1	Cl4	100.738

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

using model chemistry: B3LYPultrafine/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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Number	Element	Mulliken
1	P	0.480
2	Cl	-0.160
3	Cl	-0.160
4	Cl	-0.160

	x	y	z	Total
	0.000	0.000	0.752	0.752
CHELPG
AIM
ESP

	x	y	z
x	10.041	-0.005	0.001
y	-0.005	10.041	0.000
z	0.001	0.000	6.666

<r²>	216.816
(<r²>)^1/2	14.725

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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