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	hartrees
Energy at 0K	-1232.800739
Energy at 298.15K
HF Energy	-1230.786178
Nuclear repulsion energy	502.247009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	314	314
2	A₁	107	107
3	E	342	342
3	E	342	342
4	E	74	74
4	E	72	72

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.985
I2	0.000	2.206	-0.093
I3	1.910	-1.103	-0.093
I4	-1.910	-1.103	-0.093

	P1	I2	I3	I4
P1		2.4550	2.4550	2.4550
I2	2.4550		3.8201	3.8201
I3	2.4550	3.8201		3.8201
I4	2.4550	3.8201	3.8201

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
I2	P1	I3	102.159		I2	P1	I4	102.159
I3	P1	I4	102.159

All results from a given calculation for PI₃ (Phosphorus triiodide)

using model chemistry: QCISD(T)=FULL/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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All results from a given calculation for PI3 (Phosphorus triiodide)

using model chemistry: QCISD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for PI₃ (Phosphorus triiodide)