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	hartrees
Energy at 0K
Energy at 298.15K	0.023044
HF Energy	0.023044
Nuclear repulsion energy	115.181554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	732	778	282.72
2	A₁	451	479	13.97
3	A₁	192	204	0.20
4	E	805	855	278.62
4	E	805	855	298.41
5	E	287	304	1.04
5	E	287	304	1.31
6	E	133	141	0.25
6	E	133	141	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.767
I2	0.000	0.000	1.432
Cl3	0.000	1.635	-1.398
Cl4	1.416	-0.817	-1.398
Cl5	-1.416	-0.817	-1.398

	C1	I2	Cl3	Cl4	Cl5
C1		2.1992	1.7522	1.7522	1.7522
I2	2.1992		3.2680	3.2680	3.2680
Cl3	1.7522	3.2680		2.8317	2.8317
Cl4	1.7522	3.2680	2.8317		2.8317
Cl5	1.7522	3.2680	2.8317	2.8317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	111.089	I2	C1	Cl4	111.089
I2	C1	Cl5	111.089	Cl3	C1	Cl4	107.806
Cl3	C1	Cl5	107.806	Cl4	C1	Cl5	107.806

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: PM6

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: PM6

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)