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	hartrees
Energy at 0K	-1232.851558
Energy at 298.15K
HF Energy	-1230.785588
Nuclear repulsion energy	508.305739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	330	330	3.25	11.22	0.01	0.03
2	A₁	116	116	0.02	7.75	0.20	0.33
3	E	354	354	68.59	4.33	0.75	0.86
3	E	354	354	68.59	4.33	0.75	0.86
4	E	79	79	0.02	4.04	0.75	0.86
4	E	79	79	0.02	4.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.985
I2	0.000	2.176	-0.093
I3	1.885	-1.088	-0.093
I4	-1.885	-1.088	-0.093

	P1	I2	I3	I4
P1		2.4289	2.4289	2.4289
I2	2.4289		3.7698	3.7698
I3	2.4289	3.7698		3.7698
I4	2.4289	3.7698	3.7698

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
I2	P1	I3	101.798		I2	P1	I4	101.798
I3	P1	I4	101.798

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

using model chemistry: MP2=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: MP2=FULL/Def2TZVPP

States and conformations

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