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	hartrees
Energy at 0K	-796.064057
Energy at 298.15K
HF Energy	-795.209072
Nuclear repulsion energy	160.745492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3166	2.70
2	A'	1473	1473	0.04
3	A'	1246	1246	65.78
4	A'	780	780	68.95
5	A'	571	571	8.27
6	A'	201	201	0.30
7	A"	3247	3247	0.76
8	A"	1160	1160	0.01
9	A"	814	814	4.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.792	-1.063	0.000
Cl2	-0.443	-2.322	0.000
I3	0.000	0.909	0.000
H4	1.393	-1.163	0.892
H5	1.393	-1.163	-0.892

	C1	Cl2	I3	H4	H5
C1		1.7633	2.1250	1.0805	1.0805
Cl2	1.7633		3.2612	2.3473	2.3473
I3	2.1250	3.2612		2.6513	2.6513
H4	1.0805	2.3473	2.6513		1.7843
H5	1.0805	2.3473	2.6513	1.7843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.685	Cl2	C1	H4	108.883
Cl2	C1	H5	108.883	I3	C1	H4	107.050
I3	C1	H5	107.050	H4	C1	H5	111.308

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: CCD/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: CCD/Def2TZVPP

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)