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	hartrees
Energy at 0K	-1217.491274
Energy at 298.15K
HF Energy	-1216.470371
Nuclear repulsion energy	710.573525

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
I2	1.245	1.245	1.245
I3	-1.245	-1.245	1.245
I4	-1.245	1.245	-1.245
I5	1.245	-1.245	-1.245

	C1	I2	I3	I4	I5
C1		2.1570	2.1570	2.1570	2.1570
I2	2.1570		3.5224	3.5224	3.5224
I3	2.1570	3.5224		3.5224	3.5224
I4	2.1570	3.5224	3.5224		3.5224
I5	2.1570	3.5224	3.5224	3.5224

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/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: CCSD/cc-pVTZ-PP

States and conformations

All results from a given calculation for CI₄ (tetraiodomethane)