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	hartrees
Energy at 0K	-8251.907698
Energy at 298.15K
HF Energy	-8251.797190
Nuclear repulsion energy	746.746998

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	835	728	126.91	5.16	0.33	0.50
2	A₁	418	365	1.92	11.46	0.01	0.01
3	A₁	223	194	1.88	5.47	0.52	0.68
4	E	892	778	112.43	6.93	0.75	0.86
4	E	892	778	112.43	6.93	0.75	0.86
5	E	283	246	2.08	4.47	0.75	0.86
5	E	283	246	2.08	4.47	0.75	0.86
6	E	177	155	0.05	3.89	0.75	0.86
6	E	177	155	0.05	3.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.735
I2	0.000	0.000	1.438
Cl3	0.000	1.733	-1.408
Cl4	1.501	-0.867	-1.408
Cl5	-1.501	-0.867	-1.408

	C1	I2	Cl3	Cl4	Cl5
C1		2.1721	1.8592	1.8592	1.8592
I2	2.1721		3.3315	3.3315	3.3315
Cl3	1.8592	3.3315		3.0019	3.0019
Cl4	1.8592	3.3315	3.0019		3.0019
Cl5	1.8592	3.3315	3.0019	3.0019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	111.223	I2	C1	Cl4	111.223
I2	C1	Cl5	111.223	Cl3	C1	Cl4	107.664
Cl3	C1	Cl5	107.664	Cl4	C1	Cl5	107.664

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: MP2/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: MP2/STO-3G

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)