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	hartrees
Energy at 0K	-1714.325023
Energy at 298.15K
HF Energy	-1713.028587
Nuclear repulsion energy	496.181845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	717	717
2	A₁	410	410
3	A₁	210	210
4	E	780	780
4	E	780	780
5	E	286	286
5	E	286	286
6	E	173	173
6	E	173	173

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
I2	0.000	0.000	1.394
Cl3	0.000	1.671	-1.358
Cl4	1.447	-0.835	-1.358
Cl5	-1.447	-0.835	-1.358

	C1	I2	Cl3	Cl4	Cl5
C1		2.1587	1.7731	1.7731	1.7731
I2	2.1587		3.2197	3.2197	3.2197
Cl3	1.7731	3.2197		2.8939	2.8939
Cl4	1.7731	3.2197	2.8939		2.8939
Cl5	1.7731	3.2197	2.8939	2.8939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.559	I2	C1	Cl4	109.559
I2	C1	Cl5	109.559	Cl3	C1	Cl4	109.383
Cl3	C1	Cl5	109.383	Cl4	C1	Cl5	109.383

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: CCSD(T)/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 CCl3I (trichloroiodomethane)

using model chemistry: CCSD(T)/Def2TZVPP

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)