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	hartrees
Energy at 0K	-1226.928815
Energy at 298.15K
HF Energy	-1224.463129
Nuclear repulsion energy	713.391445

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
I2	1.240	1.240	1.240
I3	-1.240	-1.240	1.240
I4	-1.240	1.240	-1.240
I5	1.240	-1.240	-1.240

	C1	I2	I3	I4	I5
C1		2.1484	2.1484	2.1484	2.1484
I2	2.1484		3.5083	3.5083	3.5083
I3	2.1484	3.5083		3.5083	3.5083
I4	2.1484	3.5083	3.5083		3.5083
I5	2.1484	3.5083	3.5083	3.5083

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: CCSD(T)=FULL/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 CI4 (tetraiodomethane)

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

States and conformations

All results from a given calculation for CI₄ (tetraiodomethane)