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	hartrees
Energy at 0K	-1711.997956
Energy at 298.15K
HF Energy	-1711.052173
Nuclear repulsion energy	497.477305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	730	730	128.78	11.84	0.54	0.70
2	A₁	418	418	0.28	12.43	0.00	0.01
3	A₁	215	215	0.03	6.08	0.34	0.51
4	E	791	791	111.30	1.76	0.75	0.86
4	E	791	791	111.30	1.76	0.75	0.86
5	E	290	290	0.08	3.46	0.75	0.86
5	E	290	290	0.08	3.46	0.75	0.86
6	E	175	175	0.05	2.74	0.75	0.86
6	E	175	175	0.05	2.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.763
I2	0.000	0.000	1.391
Cl3	0.000	1.666	-1.356
Cl4	1.443	-0.833	-1.356
Cl5	-1.443	-0.833	-1.356

	C1	I2	Cl3	Cl4	Cl5
C1		2.1540	1.7681	1.7681	1.7681
I2	2.1540		3.2122	3.2122	3.2122
Cl3	1.7681	3.2122		2.8855	2.8855
Cl4	1.7681	3.2122	2.8855		2.8855
Cl5	1.7681	3.2122	2.8855	2.8855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	109.576	I2	C1	Cl4	109.576
I2	C1	Cl5	109.576	Cl3	C1	Cl4	109.366
Cl3	C1	Cl5	109.366	Cl4	C1	Cl5	109.366

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: MP2/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: MP2/cc-pVTZ-PP

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)