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	hartrees
Energy at 0K	-8297.585887
Energy at 298.15K
HF Energy	-8297.321947
Nuclear repulsion energy	741.782766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	736	686	91.03
2	A₁	368	343	0.10
3	A₁	208	194	1.82
4	E	713	665	98.58
4	E	713	665	98.58
5	E	271	253	0.06
5	E	271	253	0.06
6	E	169	158	0.01
6	E	169	158	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.733
I2	0.000	0.000	1.446
Cl3	0.000	1.746	-1.417
Cl4	1.512	-0.873	-1.417
Cl5	-1.512	-0.873	-1.417

	C1	I2	Cl3	Cl4	Cl5
C1		2.1794	1.8752	1.8752	1.8752
I2	2.1794		3.3536	3.3536	3.3536
Cl3	1.8752	3.3536		3.0243	3.0243
Cl4	1.8752	3.3536	3.0243		3.0243
Cl5	1.8752	3.3536	3.0243	3.0243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	111.387	I2	C1	Cl4	111.387
I2	C1	Cl5	111.387	Cl3	C1	Cl4	107.490
Cl3	C1	Cl5	107.490	Cl4	C1	Cl5	107.490

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)