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	hartrees
Energy at 0K	-8333.954203
Energy at 298.15K
HF Energy	-8333.154464
Nuclear repulsion energy	766.641477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	726	694	119.41
2	A₁	423	404	0.27
3	A₁	212	202	0.01
4	E	819	782	115.85
4	E	819	782	115.85
5	E	303	289	0.07
5	E	303	289	0.07
6	E	182	174	0.01
6	E	182	174	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.783
I2	0.000	0.000	1.411
Cl3	0.000	1.672	-1.375
Cl4	1.448	-0.836	-1.375
Cl5	-1.448	-0.836	-1.375

	C1	I2	Cl3	Cl4	Cl5
C1		2.1948	1.7733	1.7733	1.7733
I2	2.1948		3.2492	3.2492	3.2492
Cl3	1.7733	3.2492		2.8957	2.8957
Cl4	1.7733	3.2492	2.8957		2.8957
Cl5	1.7733	3.2492	2.8957	2.8957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.478	I2	C1	Cl4	109.478
I2	C1	Cl5	109.478	Cl3	C1	Cl4	109.464
Cl3	C1	Cl5	109.464	Cl4	C1	Cl5	109.464

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: CCD/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)