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	hartrees
Energy at 0K	-40.088874
Energy at 298.15K
HF Energy	-39.967130
Nuclear repulsion energy	39.836099

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	254	245	9.02	15.23	0.45	0.62
2	A₁	97	94	0.04	14.99	0.39	0.57
3	E	292	282	49.46	10.49	0.75	0.86
3	E	292	282	49.46	10.49	0.75	0.86
4	E	67	65	0.00	10.32	0.75	0.86
4	E	67	65	0.00	10.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.020
I2	0.000	2.391	-0.096
I3	2.071	-1.196	-0.096
I4	-2.071	-1.196	-0.096

	P1	I2	I3	I4
P1		2.6389	2.6389	2.6389
I2	2.6389		4.1421	4.1421
I3	2.6389	4.1421		4.1421
I4	2.6389	4.1421	4.1421

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
I2	P1	I3	103.408		I2	P1	I4	103.408
I3	P1	I4	103.408

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

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

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