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	hartrees
Energy at 0K	-20889.121755
Energy at 298.15K
HF Energy	-20889.060332
Nuclear repulsion energy	1648.580573

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	362	322	19.68	16.89	0.01	0.02
2	A₁	134	119	2.05	6.92	0.32	0.49
3	E	419	373	41.66	12.99	0.75	0.86
3	E	419	373	41.66	12.99	0.75	0.86
4	E	91	81	0.40	4.17	0.75	0.86
4	E	91	81	0.40	4.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.020
I2	0.000	2.247	-0.096
I3	1.946	-1.124	-0.096
I4	-1.946	-1.124	-0.096

	P1	I2	I3	I4
P1		2.5094	2.5094	2.5094
I2	2.5094		3.8925	3.8925
I3	2.5094	3.8925		3.8925
I4	2.5094	3.8925	3.8925

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
I2	P1	I3	101.712		I2	P1	I4	101.712
I3	P1	I4	101.712

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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