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	hartrees
Energy at 0K	-1712.225433
Energy at 298.15K
HF Energy	-1711.052126
Nuclear repulsion energy	496.176960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	722	722
2	A₁	414	414
3	A₁	211	211
4	E	788	788
4	E	788	788
5	E	288	288
5	E	288	288
6	E	174	174
6	E	174	174

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.767
I2	0.000	0.000	1.396
Cl3	0.000	1.669	-1.361
Cl4	1.445	-0.835	-1.361
Cl5	-1.445	-0.835	-1.361

	C1	I2	Cl3	Cl4	Cl5
C1		2.1629	1.7715	1.7715	1.7715
I2	2.1629		3.2225	3.2225	3.2225
Cl3	1.7715	3.2225		2.8910	2.8910
Cl4	1.7715	3.2225	2.8910		2.8910
Cl5	1.7715	3.2225	2.8910	2.8910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.579	I2	C1	Cl4	109.579
I2	C1	Cl5	109.579	Cl3	C1	Cl4	109.364
Cl3	C1	Cl5	109.364	Cl4	C1	Cl5	109.364

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: CCSD(T)=FULL/cc-pVTZ-PP

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: CCSD(T)=FULL/cc-pVTZ-PP

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)