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	hartrees
Energy at 0K
Energy at 298.15K	-0.004261
HF Energy	-0.004261
Nuclear repulsion energy	136.750701

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	820	782	66.18	63.21	0.63	0.77
2	A₁	497	474	0.54	20.50	0.00	0.01
3	A₁	228	217	0.51	7.57	0.46	0.63
4	E	860	820	160.78	17.68	0.75	0.86
4	E	860	820	160.78	17.68	0.75	0.86
5	E	307	293	1.30	6.13	0.75	0.86
5	E	307	293	1.30	6.13	0.75	0.86
6	E	159	152	0.26	7.91	0.75	0.86
6	E	159	152	0.26	7.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.746
I2	0.000	0.000	1.350
Cl3	0.000	1.656	-1.315
Cl4	1.434	-0.828	-1.315
Cl5	-1.434	-0.828	-1.315

	C1	I2	Cl3	Cl4	Cl5
C1		2.0959	1.7505	1.7505	1.7505
I2	2.0959		3.1370	3.1370	3.1370
Cl3	1.7505	3.1370		2.8676	2.8676
Cl4	1.7505	3.1370	2.8676		2.8676
Cl5	1.7505	3.1370	2.8676	2.8676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	108.955	I2	C1	Cl4	108.955
I2	C1	Cl5	108.955	Cl3	C1	Cl4	109.983
Cl3	C1	Cl5	109.983	Cl4	C1	Cl5	109.983

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: AM1

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: AM1

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)