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	hartrees
Energy at 0K	-793.819319
Energy at 298.15K
HF Energy	-793.217769
Nuclear repulsion energy	160.104238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3012	2.86
2	A'	1468	1401	0.02
3	A'	1240	1183	68.45
4	A'	772	736	72.68
5	A'	567	541	8.99
6	A'	200	191	0.31
7	A"	3236	3087	0.65
8	A"	1155	1101	0.00
9	A"	812	775	3.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.794	-1.069	0.000
Cl2	-0.445	-2.332	0.000
I3	0.000	0.913	0.000
H4	1.395	-1.171	0.893
H5	1.395	-1.171	-0.893

	C1	Cl2	I3	H4	H5
C1		1.7695	2.1350	1.0812	1.0812
Cl2	1.7695		3.2754	2.3515	2.3515
I3	2.1350	3.2754		2.6624	2.6624
H4	1.0812	2.3515	2.6624		1.7862
H5	1.0812	2.3515	2.6624	1.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.714	Cl2	C1	H4	108.738
Cl2	C1	H5	108.738	I3	C1	H4	107.147
I3	C1	H5	107.147	H4	C1	H5	111.385

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: CCSD/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 CH2ClI (chloroiodomethane)

using model chemistry: CCSD/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)