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	hartrees
Energy at 0K	-8298.384586
Energy at 298.15K
HF Energy	-8297.714615
Nuclear repulsion energy	759.831488

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	707	670	138.58	13.58	0.55	0.71
2	A₁	400	379	0.04	13.34	0.01	0.02
3	A₁	213	202	0.12	7.67	0.39	0.56
4	E	723	686	108.93	2.55	0.75	0.86
4	E	723	686	108.93	2.55	0.75	0.86
5	E	289	274	0.01	4.67	0.75	0.86
5	E	289	274	0.01	4.67	0.75	0.86
6	E	176	166	0.02	3.37	0.75	0.86
6	E	176	166	0.02	3.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.783
I2	0.000	0.000	1.422
Cl3	0.000	1.690	-1.385
Cl4	1.464	-0.845	-1.385
Cl5	-1.464	-0.845	-1.385

	C1	I2	Cl3	Cl4	Cl5
C1		2.2050	1.7942	1.7942	1.7942
I2	2.2050		3.2766	3.2766	3.2766
Cl3	1.7942	3.2766		2.9275	2.9275
Cl4	1.7942	3.2766	2.9275		2.9275
Cl5	1.7942	3.2766	2.9275	2.9275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.604	I2	C1	Cl4	109.604
I2	C1	Cl5	109.604	Cl3	C1	Cl4	109.338
Cl3	C1	Cl5	109.338	Cl4	C1	Cl5	109.338

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: MP2=FULL/3-21G*

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=FULL/3-21G*

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)