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	hartrees
Energy at 0K	-1232.382503
Energy at 298.15K
HF Energy	-1230.786164
Nuclear repulsion energy	501.529937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	315	315
2	A₁	111	111
3	E	341	341
3	E	341	341
4	E	76	76
4	E	76	76

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.987
I2	0.000	2.209	-0.093
I3	1.913	-1.104	-0.093
I4	-1.913	-1.104	-0.093

	P1	I2	I3	I4
P1		2.4586	2.4586	2.4586
I2	2.4586		3.8255	3.8255
I3	2.4586	3.8255		3.8255
I4	2.4586	3.8255	3.8255

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
I2	P1	I3	102.153		I2	P1	I4	102.153
I3	P1	I4	102.153

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

using model chemistry: CCSD(T)/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: CCSD(T)/Def2TZVPP

States and conformations

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