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	hartrees
Energy at 0K	-7384.132900
Energy at 298.15K
HF Energy	-7383.938302
Nuclear repulsion energy	278.239832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3076	2.75
2	A'	1499	1458	1.34
3	A'	1252	1217	62.17
4	A'	651	633	62.03
5	A'	529	515	4.25
6	A'	185	180	0.61
7	A"	3249	3159	0.01
8	A"	1141	1110	0.00
9	A"	798	776	6.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.849	-1.069	0.000
Cl2	-0.469	-2.443	0.000
I3	0.000	0.950	0.000
H4	1.435	-1.213	0.904
H5	1.435	-1.213	-0.904

	C1	Cl2	I3	H4	H5
C1		1.9045	2.1905	1.0871	1.0871
Cl2	1.9045		3.4260	2.4406	2.4406
I3	2.1905	3.4260		2.7493	2.7493
H4	1.0871	2.4406	2.7493		1.8084
H5	1.0871	2.4406	2.7493	1.8084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.387	Cl2	C1	H4	106.088
Cl2	C1	H5	106.088	I3	C1	H4	109.361
I3	C1	H5	109.361	H4	C1	H5	112.560

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: CCD/3-21G

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/3-21G

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)