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	hartrees
Energy at 0K	-8333.986994
Energy at 298.15K
HF Energy	-8333.154080
Nuclear repulsion energy	763.097345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	692	667
2	A₁	411	396
3	A₁	205	197
4	E	782	753
4	E	782	753
5	E	297	286
5	E	297	286
6	E	178	171
6	E	178	171

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.789
I2	0.000	0.000	1.418
Cl3	0.000	1.680	-1.381
Cl4	1.455	-0.840	-1.381
Cl5	-1.455	-0.840	-1.381

	C1	I2	Cl3	Cl4	Cl5
C1		2.2068	1.7809	1.7809	1.7809
I2	2.2068		3.2641	3.2641	3.2641
Cl3	1.7809	3.2641		2.9092	2.9092
Cl4	1.7809	3.2641	2.9092		2.9092
Cl5	1.7809	3.2641	2.9092	2.9092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.413	I2	C1	Cl4	109.413
I2	C1	Cl5	109.413	Cl3	C1	Cl4	109.530
Cl3	C1	Cl5	109.530	Cl4	C1	Cl5	109.530

All results from a given calculation for CCl₃I (trichloroiodomethane)

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

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)