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	hartrees
Energy at 0K	-1217.662261
Energy at 298.15K
HF Energy	-1216.470400
Nuclear repulsion energy	709.400867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	T₂	604	604
2	T₂	604	604
2	T₂	604	604
3	T₂	190	190
3	T₂	126	126
3	T₂	126	126
4	T₂	126	126
4	T₂	86	86
4	T₂	86	86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
I2	1.247	1.247	1.247
I3	-1.247	-1.247	1.247
I4	-1.247	1.247	-1.247
I5	1.247	-1.247	-1.247

	C1	I2	I3	I4	I5
C1		2.1605	2.1605	2.1605	2.1605
I2	2.1605		3.5280	3.5280	3.5280
I3	2.1605	3.5280		3.5280	3.5280
I4	2.1605	3.5280	3.5280		3.5280
I5	2.1605	3.5280	3.5280	3.5280

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: QCISD(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 CI4 (tetraiodomethane)

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

States and conformations

All results from a given calculation for CI₄ (tetraiodomethane)