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	hartrees
Energy at 0K	-8298.259358
Energy at 298.15K
HF Energy	-8297.714935
Nuclear repulsion energy	763.385509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	758	708	102.98
2	A₁	417	390	0.01
3	A₁	221	206	0.63
4	E	772	721	95.76
4	E	772	721	95.76
5	E	298	279	0.00
5	E	298	279	0.00
6	E	182	170	0.03
6	E	182	170	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.776
I2	0.000	0.000	1.416
Cl3	0.000	1.682	-1.380
Cl4	1.456	-0.841	-1.380
Cl5	-1.456	-0.841	-1.380

	C1	I2	Cl3	Cl4	Cl5
C1		2.1920	1.7866	1.7866	1.7866
I2	2.1920		3.2622	3.2622	3.2622
Cl3	1.7866	3.2622		2.9127	2.9127
Cl4	1.7866	3.2622	2.9127		2.9127
Cl5	1.7866	3.2622	2.9127	2.9127

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.739	I2	C1	Cl4	109.739
I2	C1	Cl5	109.739	Cl3	C1	Cl4	109.202
Cl3	C1	Cl5	109.202	Cl4	C1	Cl5	109.202

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)