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	hartrees
Energy at 0K
Energy at 298.15K	0.163572
HF Energy	0.163572
Nuclear repulsion energy	120.586959

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	227	221	0.00	1.93	0.00	0.00
2	E	69i	67i	0.00	8.65	0.75	0.86
2	E	69i	67i	0.00	8.65	0.75	0.86
3	T₂	1030	1003	359.53	0.01	0.75	0.86
3	T₂	1030	1003	359.53	0.01	0.75	0.86
3	T₂	1030	1003	359.53	0.01	0.75	0.86
4	T₂	91i	89i	1.21	5.69	0.75	0.86
4	T₂	91i	89i	1.21	5.69	0.75	0.86
4	T₂	91i	89i	1.21	5.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
I2	1.114	1.114	1.114
I3	-1.114	-1.114	1.114
I4	-1.114	1.114	-1.114
I5	1.114	-1.114	-1.114

	C1	I2	I3	I4	I5
C1		1.9302	1.9302	1.9302	1.9302
I2	1.9302		3.1520	3.1520	3.1520
I3	1.9302	3.1520		3.1520	3.1520
I4	1.9302	3.1520	3.1520		3.1520
I5	1.9302	3.1520	3.1520	3.1520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	109.471	I2	C1	I4	109.471
I2	C1	I5	109.471	I3	C1	I4	109.471
I3	C1	I5	109.471	I4	C1	I5	109.471

All results from a given calculation for CI₄ (tetraiodomethane)

using model chemistry: PM3

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 CI4 (tetraiodomethane)

using model chemistry: PM3

States and conformations

All results from a given calculation for CI₄ (tetraiodomethane)