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	hartrees
Energy at 0K	-93.274854
Energy at 298.15K
HF Energy	-93.031822
Nuclear repulsion energy	94.559873

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	677	652	138.36	2.96	0.18	0.30
2	A₁	363	349	0.21	15.51	0.04	0.08
3	A₁	204	197	0.26	9.18	0.49	0.66
4	E	691	665	100.52	3.25	0.75	0.86
4	E	691	665	100.52	3.25	0.75	0.86
5	E	272	262	0.00	10.34	0.75	0.86
5	E	272	262	0.00	10.34	0.75	0.86
6	E	173	166	0.09	7.82	0.75	0.86
6	E	173	166	0.09	7.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.751
I2	0.000	0.000	1.442
Cl3	0.000	1.754	-1.410
Cl4	1.519	-0.877	-1.410
Cl5	-1.519	-0.877	-1.410

	C1	I2	Cl3	Cl4	Cl5
C1		2.1933	1.8736	1.8736	1.8736
I2	2.1933		3.3482	3.3482	3.3482
Cl3	1.8736	3.3482		3.0379	3.0379
Cl4	1.8736	3.3482	3.0379		3.0379
Cl5	1.8736	3.3482	3.0379	3.0379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	Cl3	110.586	I2	C1	Cl4	110.586
I2	C1	Cl5	110.586	Cl3	C1	Cl4	108.334
Cl3	C1	Cl5	108.334	Cl4	C1	Cl5	108.334

All results from a given calculation for CCl₃I (trichloroiodomethane)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for CCl₃I (trichloroiodomethane)