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	hartrees
Energy at 0K	-8333.928347
Energy at 298.15K
HF Energy	-8333.154486
Nuclear repulsion energy	767.609611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	709	674	144.00	16.97	0.55	0.71
2	A₁	421	401	0.56	11.52	0.01	0.02
3	A₁	211	200	0.20	9.11	0.39	0.56
4	E	802	762	133.99	1.17	0.75	0.86
4	E	802	762	133.99	1.17	0.75	0.86
5	E	303	288	0.15	5.26	0.75	0.86
5	E	303	288	0.15	5.26	0.75	0.86
6	E	182	173	0.01	3.94	0.75	0.86
6	E	182	173	0.01	3.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.786
I2	0.000	0.000	1.409
Cl3	0.000	1.670	-1.372
Cl4	1.447	-0.835	-1.372
Cl5	-1.447	-0.835	-1.372

	C1	I2	Cl3	Cl4	Cl5
C1		2.1949	1.7702	1.7702	1.7702
I2	2.1949		3.2443	3.2443	3.2443
Cl3	1.7702	3.2443		2.8930	2.8930
Cl4	1.7702	3.2443	2.8930		2.8930
Cl5	1.7702	3.2443	2.8930	2.8930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.346	I2	C1	Cl4	109.346
I2	C1	Cl5	109.346	Cl3	C1	Cl4	109.596
Cl3	C1	Cl5	109.596	Cl4	C1	Cl5	109.596

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)