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	hartrees
Energy at 0K	-1722.134033
Energy at 298.15K	-1722.134820
HF Energy	-1722.134033
Nuclear repulsion energy	333.190534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	459	452	36.98
2	A₁	240	236	1.42
3	E	427	421	179.67
3	E	427	421	179.64
4	E	175	173	0.08
4	E	175	173	0.08

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.735
Cl2	0.000	1.879	-0.216
Cl3	1.627	-0.940	-0.216
Cl4	-1.627	-0.940	-0.216

	P1	Cl2	Cl3	Cl4
P1		2.1059	2.1059	2.1059
Cl2	2.1059		3.2547	3.2547
Cl3	2.1059	3.2547		3.2547
Cl4	2.1059	3.2547	3.2547

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	P1	Cl3	104.260		Cl2	P1	Cl4	104.260
Cl3	P1	Cl4	104.260

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

using model chemistry: B97D3/6-311G**

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	0.541
2	Cl	-0.180
3	Cl	-0.180
4	Cl	-0.180

	x	y	z	Total
	0.000	0.000	1.111	1.111
CHELPG
AIM
ESP

	x	y	z
x	9.521	0.000	0.000
y	0.000	9.521	-0.000
z	0.000	-0.000	5.847

<r²>	223.136
(<r²>)^1/2	14.938

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

using model chemistry: B97D3/6-311G**

States and conformations

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