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	hartrees
Energy at 0K	-1714.268671
Energy at 298.15K
HF Energy	-1713.028732
Nuclear repulsion energy	499.179551

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	725	690	129.74	15.73	0.55	0.71
2	A₁	420	399	0.32	11.98	0.00	0.00
3	A₁	215	204	0.02	6.07	0.37	0.54
4	E	791	753	110.43	2.41	0.75	0.86
4	E	791	753	110.43	2.41	0.75	0.86
5	E	290	276	0.09	3.04	0.75	0.86
5	E	290	276	0.09	3.04	0.75	0.86
6	E	175	167	0.05	2.60	0.75	0.86
6	E	175	167	0.05	2.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.760
I2	0.000	0.000	1.384
Cl3	0.000	1.662	-1.348
Cl4	1.440	-0.831	-1.348
Cl5	-1.440	-0.831	-1.348

	C1	I2	Cl3	Cl4	Cl5
C1		2.1436	1.7634	1.7634	1.7634
I2	2.1436		3.1979	3.1979	3.1979
Cl3	1.7634	3.1979		2.8793	2.8793
Cl4	1.7634	3.1979	2.8793		2.8793
Cl5	1.7634	3.1979	2.8793	2.8793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.489	I2	C1	Cl4	109.489
I2	C1	Cl5	109.489	Cl3	C1	Cl4	109.454
Cl3	C1	Cl5	109.454	Cl4	C1	Cl5	109.454

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)