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	hartrees
Energy at 0K	-1225.746282
Energy at 298.15K
HF Energy	-1224.798487
Nuclear repulsion energy	500.707165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	318	318
2	A₁	113	113
3	E	347	347
3	E	347	347
4	E	78	78
4	E	78	78

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.992
I2	0.000	2.211	-0.094
I3	1.915	-1.106	-0.094
I4	-1.915	-1.106	-0.094

	P1	I2	I3	I4
P1		2.4634	2.4634	2.4634
I2	2.4634		3.8300	3.8300
I3	2.4634	3.8300		3.8300
I4	2.4634	3.8300	3.8300

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
I2	P1	I3	102.043		I2	P1	I4	102.043
I3	P1	I4	102.043

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVTZ-PP

States and conformations

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