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	hartrees
Energy at 0K	-8333.813366
Energy at 298.15K
HF Energy	-8333.154561
Nuclear repulsion energy	771.155567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	767	713	124.46
2	A₁	437	406	0.10
3	A₁	221	205	0.03
4	E	851	790	124.04
4	E	851	790	124.04
5	E	311	289	0.06
5	E	311	289	0.06
6	E	189	175	0.01
6	E	189	175	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.774
I2	0.000	0.000	1.402
Cl3	0.000	1.663	-1.366
Cl4	1.440	-0.832	-1.366
Cl5	-1.440	-0.832	-1.366

	C1	I2	Cl3	Cl4	Cl5
C1		2.1763	1.7656	1.7656	1.7656
I2	2.1763		3.2298	3.2298	3.2298
Cl3	1.7656	3.2298		2.8809	2.8809
Cl4	1.7656	3.2298	2.8809		2.8809
Cl5	1.7656	3.2298	2.8809	2.8809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.600	I2	C1	Cl4	109.600
I2	C1	Cl5	109.600	Cl3	C1	Cl4	109.342
Cl3	C1	Cl5	109.342	Cl4	C1	Cl5	109.342

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: CID/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: CID/6-311G*

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)