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	hartrees
Energy at 0K	-796.067383
Energy at 298.15K
HF Energy	-795.209074
Nuclear repulsion energy	160.600288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3162	2.85
2	A'	1470	1470	0.04
3	A'	1240	1240	67.81
4	A'	773	773	72.49
5	A'	567	567	9.32
6	A'	200	200	0.28
7	A"	3242	3242	0.67
8	A"	1155	1155	0.01
9	A"	812	812	3.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.792	-1.064	0.000
Cl2	-0.444	-2.324	0.000
I3	0.000	0.910	0.000
H4	1.393	-1.164	0.893
H5	1.393	-1.164	-0.893

	C1	Cl2	I3	H4	H5
C1		1.7648	2.1273	1.0807	1.0807
Cl2	1.7648		3.2643	2.3487	2.3487
I3	2.1273	3.2643		2.6533	2.6533
H4	1.0807	2.3487	2.6533		1.7854
H5	1.0807	2.3487	2.6533	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.677	Cl2	C1	H4	108.876
Cl2	C1	H5	108.876	I3	C1	H4	107.024
I3	C1	H5	107.024	H4	C1	H5	111.384

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: CCSD/Def2TZVPP

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 CH2ClI (chloroiodomethane)

using model chemistry: CCSD/Def2TZVPP

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)