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	hartrees
Energy at 0K	-1714.007419
Energy at 298.15K
HF Energy	-1713.028576
Nuclear repulsion energy	501.283091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	793	793	107.23
2	A₁	440	440	0.02
3	A₁	225	225	0.36
4	E	854	854	104.21
4	E	854	854	104.21
5	E	305	305	0.04
5	E	305	305	0.04
6	E	185	185	0.06
6	E	185	185	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.754
I2	0.000	0.000	1.380
Cl3	0.000	1.653	-1.346
Cl4	1.432	-0.827	-1.346
Cl5	-1.432	-0.827	-1.346

	C1	I2	Cl3	Cl4	Cl5
C1		2.1341	1.7559	1.7559	1.7559
I2	2.1341		3.1881	3.1881	3.1881
Cl3	1.7559	3.1881		2.8632	2.8632
Cl4	1.7559	3.1881	2.8632		2.8632
Cl5	1.7559	3.1881	2.8632	2.8632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.701	I2	C1	Cl4	109.701
I2	C1	Cl5	109.701	Cl3	C1	Cl4	109.240
Cl3	C1	Cl5	109.240	Cl4	C1	Cl5	109.240

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: CISD/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: CISD/Def2TZVPP

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)