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	hartrees
Energy at 0K	-796.330738
Energy at 298.15K
HF Energy	-795.209091
Nuclear repulsion energy	160.962369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3162	2.74
2	A'	1471	1471	0.04
3	A'	1239	1239	66.61
4	A'	777	777	71.60
5	A'	569	569	8.60
6	A'	201	201	0.29
7	A"	3241	3241	0.76
8	A"	1158	1158	0.01
9	A"	809	809	4.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.790	-1.060	0.000
Cl2	-0.443	-2.319	0.000
I3	0.000	0.908	0.000
H4	1.390	-1.160	0.890
H5	1.390	-1.160	-0.890

	C1	Cl2	I3	H4	H5
C1		1.7623	2.1207	1.0784	1.0784
Cl2	1.7623		3.2573	2.3443	2.3443
I3	2.1207	3.2573		2.6463	2.6463
H4	1.0784	2.3443	2.6463		1.7809
H5	1.0784	2.3443	2.6463	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.722	Cl2	C1	H4	108.837
Cl2	C1	H5	108.837	I3	C1	H4	107.071
I3	C1	H5	107.071	H4	C1	H5	111.325

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: CCSD=FULL/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=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)