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	hartrees
Energy at 0K	-8298.257312
Energy at 298.15K
HF Energy	-8297.714946
Nuclear repulsion energy	763.630570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	760	707	103.28
2	A₁	418	389	0.01
3	A₁	221	206	0.61
4	E	775	721	95.20
4	E	775	721	95.20
5	E	299	278	0.00
5	E	299	278	0.00
6	E	182	169	0.03
6	E	182	169	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.776
I2	0.000	0.000	1.415
Cl3	0.000	1.681	-1.379
Cl4	1.456	-0.840	-1.379
Cl5	-1.456	-0.840	-1.379

	C1	I2	Cl3	Cl4	Cl5
C1		2.1916	1.7858	1.7858	1.7858
I2	2.1916		3.2613	3.2613	3.2613
Cl3	1.7858	3.2613		2.9114	2.9114
Cl4	1.7858	3.2613	2.9114		2.9114
Cl5	1.7858	3.2613	2.9114	2.9114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.737	I2	C1	Cl4	109.737
I2	C1	Cl5	109.737	Cl3	C1	Cl4	109.204
Cl3	C1	Cl5	109.204	Cl4	C1	Cl5	109.204

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)