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	hartrees
Energy at 0K	-27448.161348
Energy at 298.15K
HF Energy	-27448.161348
Nuclear repulsion energy	2762.859025

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	195	195	0.00	17.08	0.00	0.00
2	E	88	88	0.00	3.84	0.75	0.86
2	E	88	88	0.00	3.84	0.75	0.86
3	T₂	635	635	128.13	10.70	0.75	0.86
3	T₂	635	635	128.13	10.70	0.75	0.86
3	T₂	635	635	128.13	10.70	0.75	0.86
4	T₂	133	133	0.08	5.72	0.75	0.86
4	T₂	133	133	0.08	5.72	0.75	0.86
4	T₂	133	133	0.08	5.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
I2	1.282	1.282	1.282
I3	-1.282	-1.282	1.282
I4	-1.282	1.282	-1.282
I5	1.282	-1.282	-1.282

	C1	I2	I3	I4	I5
C1		2.2204	2.2204	2.2204	2.2204
I2	2.2204		3.6259	3.6259	3.6259
I3	2.2204	3.6259		3.6259	3.6259
I4	2.2204	3.6259	3.6259		3.6259
I5	2.2204	3.6259	3.6259	3.6259

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: TPSSh/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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Number	Element	Mulliken
1	C	-0.259
2	I	0.065
3	I	0.065
4	I	0.065
5	I	0.065

<r²>	1114.974
(<r²>)^1/2	33.391

All results from a given calculation for CI4 (tetraiodomethane)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for CI₄ (tetraiodomethane)