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	hartrees
Energy at 0K	-8254.974507
Energy at 298.15K
HF Energy	-8254.933968
Nuclear repulsion energy	746.875127

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	812	812	151.79	5.62	0.28	0.44
2	A₁	409	409	1.48	13.81	0.00	0.00
3	A₁	217	217	1.60	6.35	0.51	0.68
4	E	857	857	139.85	6.32	0.75	0.86
4	E	857	857	139.85	6.32	0.75	0.86
5	E	277	277	1.66	4.93	0.75	0.86
5	E	277	277	1.66	4.93	0.75	0.86
6	E	172	172	0.04	4.16	0.75	0.86
6	E	172	172	0.04	4.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.732
I2	0.000	0.000	1.437
Cl3	0.000	1.734	-1.407
Cl4	1.501	-0.867	-1.407
Cl5	-1.501	-0.867	-1.407

	C1	I2	Cl3	Cl4	Cl5
C1		2.1683	1.8607	1.8607	1.8607
I2	2.1683		3.3307	3.3307	3.3307
Cl3	1.8607	3.3307		3.0029	3.0029
Cl4	1.8607	3.3307	3.0029		3.0029
Cl5	1.8607	3.3307	3.0029	3.0029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	111.289	I2	C1	Cl4	111.289
I2	C1	Cl5	111.289	Cl3	C1	Cl4	107.594
Cl3	C1	Cl5	107.594	Cl4	C1	Cl5	107.594

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: B2PLYP=FULL/STO-3G

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: B2PLYP=FULL/STO-3G

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)