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	hartrees
Energy at 0K	-8334.623899
Energy at 298.15K
HF Energy	-8333.154141
Nuclear repulsion energy	763.465118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	699	699
2	A₁	417	417
3	A₁	208	208
4	E	785	785
4	E	785	785
5	E	305	305
5	E	303	303
6	E	187	187
6	E	186	186

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.789
I2	0.000	0.000	1.418
Cl3	0.000	1.678	-1.381
Cl4	1.453	-0.839	-1.381
Cl5	-1.453	-0.839	-1.381

	C1	I2	Cl3	Cl4	Cl5
C1		2.2068	1.7794	1.7794	1.7794
I2	2.2068		3.2630	3.2630	3.2630
Cl3	1.7794	3.2630		2.9067	2.9067
Cl4	1.7794	3.2630	2.9067		2.9067
Cl5	1.7794	3.2630	2.9067	2.9067

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.419	I2	C1	Cl4	109.419
I2	C1	Cl5	109.419	Cl3	C1	Cl4	109.524
Cl3	C1	Cl5	109.524	Cl4	C1	Cl5	109.524

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: QCISD(T)=FULL/6-311G*

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: QCISD(T)=FULL/6-311G*

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)