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	hartrees
Energy at 0K	-7384.118219
Energy at 298.15K
HF Energy	-7383.938704
Nuclear repulsion energy	279.374125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	2989	2.29
2	A'	1520	1416	1.24
3	A'	1274	1187	69.38
4	A'	667	621	71.16
5	A'	543	506	4.37
6	A'	190	177	0.67
7	A"	3294	3069	0.13
8	A"	1163	1083	0.00
9	A"	813	757	6.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.845	-1.065	0.000
Cl2	-0.467	-2.433	0.000
I3	0.000	0.947	0.000
H4	1.430	-1.209	0.901
H5	1.430	-1.209	-0.901

	C1	Cl2	I3	H4	H5
C1		1.8957	2.1818	1.0836	1.0836
Cl2	1.8957		3.4120	2.4306	2.4306
I3	2.1818	3.4120		2.7394	2.7394
H4	1.0836	2.4306	2.7394		1.8010
H5	1.0836	2.4306	2.7394	1.8010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.417	Cl2	C1	H4	106.112
Cl2	C1	H5	106.112	I3	C1	H4	109.393
I3	C1	H5	109.393	H4	C1	H5	112.412

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)