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	hartrees
Energy at 0K	-1232.011299
Energy at 298.15K
HF Energy	-1230.785783
Nuclear repulsion energy	506.971681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	337	337	3.63
2	A₁	123	123	0.00
3	E	376	376	60.28
3	E	376	376	60.28
4	E	85	85	0.01
4	E	85	85	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.970
I2	0.000	2.186	-0.092
I3	1.893	-1.093	-0.092
I4	-1.893	-1.093	-0.092

	P1	I2	I3	I4
P1		2.4304	2.4304	2.4304
I2	2.4304		3.7867	3.7867
I3	2.4304	3.7867		3.7867
I4	2.4304	3.7867	3.7867

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
I2	P1	I3	102.345		I2	P1	I4	102.345
I3	P1	I4	102.345

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

using model chemistry: CID/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: CID/Def2TZVPP

States and conformations

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