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	hartrees
Energy at 0K	-796.094961
Energy at 298.15K
HF Energy	-795.209004
Nuclear repulsion energy	160.139124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3138	3138
2	A'	1449	1449
3	A'	1218	1218
4	A'	753	753
5	A'	553	553
6	A'	196	196
7	A"	3221	3221
8	A"	1135	1135
9	A"	798	798

Atom	x (Å)	y (Å)	z (Å)
C1	0.796	-1.069	0.000
Cl2	-0.445	-2.330	0.000
I3	0.000	0.913	0.000
H4	1.395	-1.167	0.896
H5	1.395	-1.167	-0.896

	C1	Cl2	I3	H4	H5
C1		1.7697	2.1349	1.0825	1.0825
Cl2	1.7697		3.2733	2.3539	2.3539
I3	2.1349	3.2733		2.6599	2.6599
H4	1.0825	2.3539	2.6599		1.7921
H5	1.0825	2.3539	2.6599	1.7921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.600	Cl2	C1	H4	108.845
Cl2	C1	H5	108.845	I3	C1	H4	106.924
I3	C1	H5	106.924	H4	C1	H5	111.738

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: CCSD(T)/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: CCSD(T)/Def2TZVPP

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)