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	hartrees
Energy at 0K	-1714.269529
Energy at 298.15K
HF Energy	-1713.028748
Nuclear repulsion energy	498.080240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	749	749	105.68
2	A₁	422	422	0.09
3	A₁	216	216	0.19
4	E	814	814	96.81
4	E	814	814	96.85
5	E	293	293	0.05
5	E	293	293	0.05
6	E	178	178	0.06
6	E	178	178	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.760
I2	0.000	0.000	1.388
Cl3	0.000	1.664	-1.354
Cl4	1.441	-0.832	-1.354
Cl5	-1.441	-0.832	-1.354

	C1	I2	Cl3	Cl4	Cl5
C1		2.1484	1.7670	1.7671	1.7671
I2	2.1484		3.2076	3.2076	3.2076
Cl3	1.7670	3.2076		2.8828	2.8828
Cl4	1.7671	3.2076	2.8828		2.8828
Cl5	1.7671	3.2076	2.8828	2.8828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.628	I2	C1	Cl4	109.628
I2	C1	Cl5	109.628	Cl3	C1	Cl4	109.314
Cl3	C1	Cl5	109.314	Cl4	C1	Cl5	109.314

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: CCD/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: CCD/Def2TZVPP

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)