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	hartrees
Energy at 0K	-793.919613
Energy at 298.15K
HF Energy	-793.217833
Nuclear repulsion energy	160.038967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3156	3156
2	A'	1461	1461
3	A'	1222	1222
4	A'	761	761
5	A'	555	555
6	A'	197	197
7	A"	3214	3214
8	A"	1144	1144
9	A"	800	800

Atom	x (Å)	y (Å)	z (Å)
C1	0.795	-1.072	0.000
Cl2	-0.444	-2.333	0.000
I3	0.000	0.914	0.000
H4	1.392	-1.172	0.893
H5	1.392	-1.172	-0.893

	C1	Cl2	I3	H4	H5
C1		1.7682	2.1389	1.0784	1.0784
Cl2	1.7682		3.2776	2.3489	2.3489
I3	2.1389	3.2776		2.6614	2.6614
H4	1.0784	2.3489	2.6614		1.7851
H5	1.0784	2.3489	2.6614	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.705	Cl2	C1	H4	108.782
Cl2	C1	H5	108.782	I3	C1	H4	106.950
I3	C1	H5	106.950	H4	C1	H5	111.711

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: CCSD(T)=FULL/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(T)=FULL/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)