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	hartrees
Energy at 0K	-1712.235750
Energy at 298.15K
HF Energy	-1711.052032
Nuclear repulsion energy	495.412880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	707	707
2	A₁	408	408
3	A₁	210	210
4	E	774	774
4	E	774	774
5	E	285	285
5	E	285	285
6	E	173	173
6	E	173	173

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.767
I2	0.000	0.000	1.397
Cl3	0.000	1.673	-1.362
Cl4	1.448	-0.836	-1.362
Cl5	-1.448	-0.836	-1.362

	C1	I2	Cl3	Cl4	Cl5
C1		2.1646	1.7749	1.7749	1.7749
I2	2.1646		3.2262	3.2262	3.2262
Cl3	1.7749	3.2262		2.8969	2.8969
Cl4	1.7749	3.2262	2.8969		2.8969
Cl5	1.7749	3.2262	2.8969	2.8969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.561	I2	C1	Cl4	109.561
I2	C1	Cl5	109.561	Cl3	C1	Cl4	109.381
Cl3	C1	Cl5	109.381	Cl4	C1	Cl5	109.381

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: MP4=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: MP4=FULL/cc-pVTZ-PP

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)