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	hartrees
Energy at 0K	-8334.576329
Energy at 298.15K
HF Energy	-8333.154482
Nuclear repulsion energy	766.894376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	727	727	124.57
2	A₁	425	425	0.26
3	A₁	212	212	0.01
4	E	818	818	121.45
4	E	818	818	121.45
5	E	304	304	0.09
5	E	304	304	0.09
6	E	183	183	0.01
6	E	183	183	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.784
I2	0.000	0.000	1.412
Cl3	0.000	1.670	-1.375
Cl4	1.446	-0.835	-1.375
Cl5	-1.446	-0.835	-1.375

	C1	I2	Cl3	Cl4	Cl5
C1		2.1958	1.7716	1.7716	1.7716
I2	2.1958		3.2489	3.2489	3.2489
Cl3	1.7716	3.2489		2.8929	2.8929
Cl4	1.7716	3.2489	2.8929		2.8929
Cl5	1.7716	3.2489	2.8929	2.8929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.482	I2	C1	Cl4	109.482
I2	C1	Cl5	109.482	Cl3	C1	Cl4	109.460
Cl3	C1	Cl5	109.460	Cl4	C1	Cl5	109.460

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: MP3=FULL/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: MP3=FULL/6-311G*

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)