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	hartrees
Energy at 0K	-793.817850
Energy at 298.15K
HF Energy	-793.217818
Nuclear repulsion energy	160.185762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3187	2.07
2	A'	1472	1472	0.00
3	A'	1243	1243	65.91
4	A'	775	775	72.37
5	A'	570	570	8.45
6	A'	200	200	0.33
7	A"	3267	3267	1.05
8	A"	1159	1159	0.00
9	A"	813	813	3.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.793	-1.068	0.000
Cl2	-0.444	-2.332	0.000
I3	0.000	0.913	0.000
H4	1.392	-1.170	0.892
H5	1.392	-1.170	-0.892

	C1	Cl2	I3	H4	H5
C1		1.7684	2.1340	1.0791	1.0791
Cl2	1.7684		3.2748	2.3487	2.3487
I3	2.1340	3.2748		2.6594	2.6594
H4	1.0791	2.3487	2.6594		1.7836
H5	1.0791	2.3487	2.6594	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	I3	113.779	Cl2	C1	H4	108.716
Cl2	C1	H5	108.716	I3	C1	H4	107.096
I3	C1	H5	107.096	H4	C1	H5	111.470

All results from a given calculation for CH₂ClI (chloroiodomethane)

using model chemistry: MP3/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: MP3/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂ClI (chloroiodomethane)