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	hartrees
Energy at 0K	-1711.833428
Energy at 298.15K
HF Energy	-1711.052058
Nuclear repulsion energy	499.790929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	792	792	109.40
2	A₁	438	438	0.02
3	A₁	225	225	0.38
4	E	852	852	104.41
4	E	852	852	104.41
5	E	303	303	0.04
5	E	303	303	0.04
6	E	184	184	0.06
6	E	184	184	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.757
I2	0.000	0.000	1.385
Cl3	0.000	1.657	-1.351
Cl4	1.435	-0.829	-1.351
Cl5	-1.435	-0.829	-1.351

	C1	I2	Cl3	Cl4	Cl5
C1		2.1423	1.7604	1.7604	1.7604
I2	2.1423		3.1989	3.1989	3.1989
Cl3	1.7604	3.1989		2.8704	2.8704
Cl4	1.7604	3.1989	2.8704		2.8704
Cl5	1.7604	3.1989	2.8704	2.8704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.714	I2	C1	Cl4	109.714
I2	C1	Cl5	109.714	Cl3	C1	Cl4	109.228
Cl3	C1	Cl5	109.228	Cl4	C1	Cl5	109.228

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: CID/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: CID/cc-pVTZ-PP

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)