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	hartrees
Energy at 0K	-1225.581095
Energy at 298.15K
HF Energy	-1224.798501
Nuclear repulsion energy	500.861058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	322	322	3.07
2	A₁	116	116	0.00
3	E	354	354	52.59
3	E	354	354	52.59
4	E	79	79	0.01
4	E	79	79	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.988
I2	0.000	2.211	-0.093
I3	1.915	-1.106	-0.093
I4	-1.915	-1.106	-0.093

	P1	I2	I3	I4
P1		2.4618	2.4618	2.4618
I2	2.4618		3.8304	3.8304
I3	2.4618	3.8304		3.8304
I4	2.4618	3.8304	3.8304

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
I2	P1	I3	102.147		I2	P1	I4	102.147
I3	P1	I4	102.147

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

using model chemistry: MP3/cc-pVTZ-PP

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: MP3/cc-pVTZ-PP

States and conformations

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